2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione

C14H12O3 — CID 10489521

IUPAC2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(c2ccccc2C)=CC1=O
InChIInChI=1S/C14H12O3/c1-9-5-3-4-6-10(9)11-7-13(16)14(17-2)8-12(11)15/h3-8H,1-2H3
InChIKeyDTDSZJUEBZQLPJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.06
Rot. Bonds2

About 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione

2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 10489521) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID10489521
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOC1=CC(=O)C(c2ccccc2C)=CC1=O
InChIInChI=1S/C14H12O3/c1-9-5-3-4-6-10(9)11-7-13(16)14(17-2)8-12(11)15/h3-8H,1-2H3
InChIKeyDTDSZJUEBZQLPJ-UHFFFAOYSA-N
XLogP2.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-(2-methylphenyl)pyrrole-2,5-dione
CID 134607085
2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 11715569
2-methoxy-5-(3,4,5-trimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 10638196
(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 101198630
(4R)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 131854134
2-(2-methoxy-3-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 118331707
2-(2-methoxyphenyl)naphthalene-1,4-dione
CID 71329809
4-methoxy-5-phenoxycyclohexa-3,5-diene-1,2-dione
CID 11075208
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene
CID 123864976
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
(E)-3-[4-methoxy-3-(2-methylphenyl)phenyl]but-2-enoic acid
CID 82544129

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione (CID 10489521) is 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione is COC1=CC(=O)C(c2ccccc2C)=CC1=O.
What is the InChIKey of 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is DTDSZJUEBZQLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-5-3-4-6-10(9)11-7-13(16)14(17-2)8-12(11)15/h3-8H,1-2H3.
What are the key properties of 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione?
2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 228.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10489521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).