2-methylnaphthalene-1,3,7-triol

C11H10O3 — CID 159488157

IUPAC2-methylnaphthalene-1,3,7-triol
SMILESCc1c(O)cc2ccc(O)cc2c1O
InChIInChI=1S/C11H10O3/c1-6-10(13)4-7-2-3-8(12)5-9(7)11(6)14/h2-5,12-14H,1H3
InChIKeyQXDPPZHJCIBUCZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.27
Rot. Bonds

About 2-methylnaphthalene-1,3,7-triol

2-methylnaphthalene-1,3,7-triol (PubChem CID 159488157) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methylnaphthalene-1,3,7-triol.

Molecular Properties

Compound Name2-methylnaphthalene-1,3,7-triol
PubChem CID159488157
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-methylnaphthalene-1,3,7-triol
SMILESCc1c(O)cc2ccc(O)cc2c1O
InChIInChI=1S/C11H10O3/c1-6-10(13)4-7-2-3-8(12)5-9(7)11(6)14/h2-5,12-14H,1H3
InChIKeyQXDPPZHJCIBUCZ-UHFFFAOYSA-N
XLogP2.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methylnaphthalene-1,3,7-triol 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-difluoronaphthalene-2,6-diol
CID 18457308
1,6-dimethylpyrene-2,7-diol
CID 11129112
2-methyl-6-methylsulfonylnaphthalene-1,3-diol
CID 174311732
dimethyl 3,7-dihydroxynaphthalene-1,2-dicarboxylate
CID 145325415
3,7-dimethylisoquinoline-6,8-diol
CID 137277383
4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
CID 90294470
phenanthren-3-ol
CID 73057263
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
3-aminonaphthalene-1,7-diol
CID 105435991
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
7-hydroxy-3-methylisoquinoline-1-carbonitrile
CID 84659522
3-[5-(3,6-dihydroxynaphthalen-2-yl)-2,4-difluoro-3-methylphenyl]naphthalene-2,7-diol
CID 155362123

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene-1,3,7-triol?
The IUPAC name of 2-methylnaphthalene-1,3,7-triol (CID 159488157) is 2-methylnaphthalene-1,3,7-triol.
What is the SMILES notation for 2-methylnaphthalene-1,3,7-triol?
The canonical SMILES for 2-methylnaphthalene-1,3,7-triol is Cc1c(O)cc2ccc(O)cc2c1O.
What is the InChIKey of 2-methylnaphthalene-1,3,7-triol?
The InChIKey is QXDPPZHJCIBUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-10(13)4-7-2-3-8(12)5-9(7)11(6)14/h2-5,12-14H,1H3.
What are the key properties of 2-methylnaphthalene-1,3,7-triol?
2-methylnaphthalene-1,3,7-triol has a molecular weight of 190.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene-1,3,7-triol is sourced from PubChem (CID 159488157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).