2-(2-methoxyphenyl)naphthalene-1,4-dione

C17H12O3 — CID 71329809

IUPAC2-(2-methoxyphenyl)naphthalene-1,4-dione
SMILESCOc1ccccc1C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12O3/c1-20-16-9-5-4-7-12(16)14-10-15(18)11-6-2-3-8-13(11)17(14)19/h2-10H,1H3
InChIKeyDDRDHMRPIMJVNU-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.16
Rot. Bonds2

About 2-(2-methoxyphenyl)naphthalene-1,4-dione

2-(2-methoxyphenyl)naphthalene-1,4-dione (PubChem CID 71329809) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)naphthalene-1,4-dione
PubChem CID71329809
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-(2-methoxyphenyl)naphthalene-1,4-dione
SMILESCOc1ccccc1C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12O3/c1-20-16-9-5-4-7-12(16)14-10-15(18)11-6-2-3-8-13(11)17(14)19/h2-10H,1H3
InChIKeyDDRDHMRPIMJVNU-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)-2-methoxyphenyl]naphthalene-1,4-dione
CID 12847598
2-(2,5-dimethyl-1H-pyrrol-3-yl)naphthalene-1,4-dione
CID 11021338
2-(2-hydroxy-4-methylphenyl)naphthalene-1,4-dione
CID 164610153
2-[4-(3-iodopropylsulfanyl)-3-methoxyphenyl]naphthalene-1,4-dione
CID 141462660
2-(dimethoxymethyl)naphthalene-1,4-dione
CID 139943510
2-methylnaphthalene-1,4-dione
CID 102070817
2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene-1,4-dione
CID 118258353
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
CID 10968300
CID 10968300
2-(3,5-difluorophenyl)naphthalene-1,4-dione
CID 135012778
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)naphthalene-1,4-dione?
The IUPAC name of 2-(2-methoxyphenyl)naphthalene-1,4-dione (CID 71329809) is 2-(2-methoxyphenyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)naphthalene-1,4-dione?
The canonical SMILES for 2-(2-methoxyphenyl)naphthalene-1,4-dione is COc1ccccc1C1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)naphthalene-1,4-dione?
The InChIKey is DDRDHMRPIMJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-20-16-9-5-4-7-12(16)14-10-15(18)11-6-2-3-8-13(11)17(14)19/h2-10H,1H3.
What are the key properties of 2-(2-methoxyphenyl)naphthalene-1,4-dione?
2-(2-methoxyphenyl)naphthalene-1,4-dione has a molecular weight of 264.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)naphthalene-1,4-dione is sourced from PubChem (CID 71329809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).