5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol

C14H14O4 — CID 67689440

IUPAC5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
SMILESCOc1cccc(-c2cc(OC)cc(O)c2O)c1
InChIInChI=1S/C14H14O4/c1-17-10-5-3-4-9(6-10)12-7-11(18-2)8-13(15)14(12)16/h3-8,15-16H,1-2H3
InChIKeyXNUQCFAGDIFYNB-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.78
Rot. Bonds3

About 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol

5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol (PubChem CID 67689440) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
PubChem CID67689440
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
SMILESCOc1cccc(-c2cc(OC)cc(O)c2O)c1
InChIInChI=1S/C14H14O4/c1-17-10-5-3-4-9(6-10)12-7-11(18-2)8-13(15)14(12)16/h3-8,15-16H,1-2H3
InChIKeyXNUQCFAGDIFYNB-UHFFFAOYSA-N
XLogP2.78
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-3-(3-methoxyphenyl)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

2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
CID 22023330
4-methoxy-2-(3-propan-2-yloxyphenyl)phenol
CID 104707355
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)-5-methylphenol
CID 53218837
4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
CID 175727272

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol?
The IUPAC name of 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol (CID 67689440) is 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol?
The canonical SMILES for 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol is COc1cccc(-c2cc(OC)cc(O)c2O)c1.
What is the InChIKey of 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol?
The InChIKey is XNUQCFAGDIFYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-10-5-3-4-9(6-10)12-7-11(18-2)8-13(15)14(12)16/h3-8,15-16H,1-2H3.
What are the key properties of 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol?
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol has a molecular weight of 246.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 67689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).