5-methoxy-7-methylnaphthalene-1,4-diol

C12H12O3 — CID 10608250

IUPAC5-methoxy-7-methylnaphthalene-1,4-diol
SMILESCOc1cc(C)cc2c(O)ccc(O)c12
InChIInChI=1S/C12H12O3/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2/h3-6,13-14H,1-2H3
InChIKeyOEXSGWRPFJDPNQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.57
Rot. Bonds1

About 5-methoxy-7-methylnaphthalene-1,4-diol

5-methoxy-7-methylnaphthalene-1,4-diol (PubChem CID 10608250) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-methoxy-7-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name5-methoxy-7-methylnaphthalene-1,4-diol
PubChem CID10608250
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name5-methoxy-7-methylnaphthalene-1,4-diol
SMILESCOc1cc(C)cc2c(O)ccc(O)c12
InChIInChI=1S/C12H12O3/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2/h3-6,13-14H,1-2H3
InChIKeyOEXSGWRPFJDPNQ-UHFFFAOYSA-N
XLogP2.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
CID 162881425
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
CID 4534320
(1S,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15377959
4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol
CID 136662732
6-bromo-5,8-dimethoxynaphthalen-1-ol
CID 15489720
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
5,7-dimethoxy-3-methylnaphthalen-1-ol
CID 15404113
5-methoxy-7-methylnaphthalen-2-ol
CID 10655221
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methylnaphthalene-1,4-diol?
The IUPAC name of 5-methoxy-7-methylnaphthalene-1,4-diol (CID 10608250) is 5-methoxy-7-methylnaphthalene-1,4-diol.
What is the SMILES notation for 5-methoxy-7-methylnaphthalene-1,4-diol?
The canonical SMILES for 5-methoxy-7-methylnaphthalene-1,4-diol is COc1cc(C)cc2c(O)ccc(O)c12.
What is the InChIKey of 5-methoxy-7-methylnaphthalene-1,4-diol?
The InChIKey is OEXSGWRPFJDPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2/h3-6,13-14H,1-2H3.
What are the key properties of 5-methoxy-7-methylnaphthalene-1,4-diol?
5-methoxy-7-methylnaphthalene-1,4-diol has a molecular weight of 204.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methylnaphthalene-1,4-diol is sourced from PubChem (CID 10608250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).