4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol

C14H12O4 — CID 174932335

IUPAC4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol
SMILESOC=c1ccc(-c2ccc(O)cc2O)cc1=CO
InChIInChI=1S/C14H12O4/c15-7-10-2-1-9(5-11(10)8-16)13-4-3-12(17)6-14(13)18/h1-8,15-18H
InChIKeyTWJKARRFLIQCHC-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.36
Rot. Bonds1

About 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol

4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol (PubChem CID 174932335) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol
PubChem CID174932335
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol
SMILESOC=c1ccc(-c2ccc(O)cc2O)cc1=CO
InChIInChI=1S/C14H12O4/c15-7-10-2-1-9(5-11(10)8-16)13-4-3-12(17)6-14(13)18/h1-8,15-18H
InChIKeyTWJKARRFLIQCHC-UHFFFAOYSA-N
XLogP1.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2,4-dihydroxyphenyl)phenyl]benzene-1,3-diol
CID 153306376
4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol
CID 174921890
bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;hydroiodide
CID 175265565
4-(4-tert-butylphenyl)benzene-1,3-diol
CID 57237092
4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol
CID 137451666
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
2-[4-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
CID 71015748
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
azulene-1,5-diol
CID 71327638
2-(4-hydroxyphenyl)benzene-1,4-diol
CID 15793198
4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]-1-(3,4-dimethylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 154035851

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol?
The IUPAC name of 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol (CID 174932335) is 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol is OC=c1ccc(-c2ccc(O)cc2O)cc1=CO.
What is the InChIKey of 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol?
The InChIKey is TWJKARRFLIQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-7-10-2-1-9(5-11(10)8-16)13-4-3-12(17)6-14(13)18/h1-8,15-18H.
What are the key properties of 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol?
4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol has a molecular weight of 244.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]benzene-1,3-diol is sourced from PubChem (CID 174932335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).