2-methylnaphthalene-1,4-diol

C11H10O2 — CID 10209

IUPAC2-methylnaphthalene-1,4-diol
SMILESCc1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKeyZJTLZYDQJHKRMQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.56
Rot. Bonds

About 2-methylnaphthalene-1,4-diol

2-methylnaphthalene-1,4-diol (PubChem CID 10209) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-methylnaphthalene-1,4-diol
PubChem CID10209
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-methylnaphthalene-1,4-diol
SMILESCc1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKeyZJTLZYDQJHKRMQ-UHFFFAOYSA-N
XLogP2.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene-1,4-diol?
The IUPAC name of 2-methylnaphthalene-1,4-diol (CID 10209) is 2-methylnaphthalene-1,4-diol.
What is the SMILES notation for 2-methylnaphthalene-1,4-diol?
The canonical SMILES for 2-methylnaphthalene-1,4-diol is Cc1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-methylnaphthalene-1,4-diol?
The InChIKey is ZJTLZYDQJHKRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3.
What are the key properties of 2-methylnaphthalene-1,4-diol?
2-methylnaphthalene-1,4-diol has a molecular weight of 174.20 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene-1,4-diol is sourced from PubChem (CID 10209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).