3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol

C14H14O3 — CID 101299392

IUPAC3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
SMILESCc1cc(-c2cccc(O)c2O)cc(C)c1O
InChIInChI=1S/C14H14O3/c1-8-6-10(7-9(2)13(8)16)11-4-3-5-12(15)14(11)17/h3-7,15-17H,1-2H3
InChIKeyPJIAODKBPAVHBG-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.09
Rot. Bonds1

About 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol

3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol (PubChem CID 101299392) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
PubChem CID101299392
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
SMILESCc1cc(-c2cccc(O)c2O)cc(C)c1O
InChIInChI=1S/C14H14O3/c1-8-6-10(7-9(2)13(8)16)11-4-3-5-12(15)14(11)17/h3-7,15-17H,1-2H3
InChIKeyPJIAODKBPAVHBG-UHFFFAOYSA-N
XLogP3.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-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

3,4-bis(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 151204371
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
4-(4-hydroxy-3,5-dimethylphenyl)-2,3-dimethylphenol
CID 139788678
4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
CID 101299553
3-methyl-6-phenylbenzene-1,2-diol;bis(3-phenylbenzene-1,2-diol)
CID 67932172
3-(3-ethyl-5-hydroxyphenyl)benzene-1,2-diol
CID 101303037
5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 130228173
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
3-methylbenzene-1,2-diol
CID 135381405
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
CID 59253869
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
The IUPAC name of 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol (CID 101299392) is 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol is Cc1cc(-c2cccc(O)c2O)cc(C)c1O.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
The InChIKey is PJIAODKBPAVHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-6-10(7-9(2)13(8)16)11-4-3-5-12(15)14(11)17/h3-7,15-17H,1-2H3.
What are the key properties of 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol?
3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).