ChemDB: Chemical Search
Download
Chemical ID: 4937657
Chemical ID:
4937657
Name [?]:
3-(2-hydroxyphenyl)chroman-3,7-diol
SMILES [?]:
c1ccc(c(c1)C2(Cc3ccc(cc3OC2)O)O)O
InChi [?]:
InChI=1/C15H14O4/c16-11-6-5-10-8-15(18,9-19-14(10)7-11)12-3-1-2-4-13(12)17/h1-7,16-18H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,11,13,8,16,9,12,5,4,14,7,17,19,18,15/rA:19cCCCCCCCCCCCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;s12;s7;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.0396 |
Area: | 416.259 |
Solvation: | -4.36688 |
Coulombic: | -58.1688 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 258.269 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.34 |
LogP (Chemaxon): | 2.35 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|