2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol

C18H16O3 — CID 174493714

IUPAC2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol
SMILESCOc1ccc2c(C)cccc2c1-c1cc(O)ccc1O
InChIInChI=1S/C18H16O3/c1-11-4-3-5-14-13(11)7-9-17(21-2)18(14)15-10-12(19)6-8-16(15)20/h3-10,19-20H,1-2H3
InChIKeyGQESXYVLQBSQBF-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.24
Rot. Bonds2

About 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol

2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol (PubChem CID 174493714) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol
PubChem CID174493714
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol
SMILESCOc1ccc2c(C)cccc2c1-c1cc(O)ccc1O
InChIInChI=1S/C18H16O3/c1-11-4-3-5-14-13(11)7-9-17(21-2)18(14)15-10-12(19)6-8-16(15)20/h3-10,19-20H,1-2H3
InChIKeyGQESXYVLQBSQBF-UHFFFAOYSA-N
XLogP4.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol?
The IUPAC name of 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol (CID 174493714) is 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol?
The canonical SMILES for 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol is COc1ccc2c(C)cccc2c1-c1cc(O)ccc1O.
What is the InChIKey of 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol?
The InChIKey is GQESXYVLQBSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-4-3-5-14-13(11)7-9-17(21-2)18(14)15-10-12(19)6-8-16(15)20/h3-10,19-20H,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol?
2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol has a molecular weight of 280.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylnaphthalen-1-yl)benzene-1,4-diol is sourced from PubChem (CID 174493714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).