ChemDB: Chemical Search
Download
Chemical ID: 6658184
Chemical ID:
6658184
Name [?]:
4-indan-1-ylphenol
SMILES [?]:
c1ccc2c(c1)CCC2c3ccc(cc3)O
InChi [?]:
InChI=1/C15H14O/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15-16H,7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,15,7,12,14,8,5,10,13,4,9,16/E:(5,6)(8,9)/rA:16cCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.89255 |
Area: | 385.008 |
Solvation: | -1.73264 |
Coulombic: | -18.9586 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.14 |
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 |
---|