Chemical ID: 4937657

c1ccc(c(c1)C2(Cc3ccc(cc3OC2)O)O)O
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

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Experimental Annotations

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Descriptor Annotations

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