(2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone

C15H12O4 — CID 141258282

IUPAC(2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone
SMILESCOc1ccc(C(=O)C2C=CC=CC2=C=O)c(O)c1
InChIInChI=1S/C15H12O4/c1-19-11-6-7-13(14(17)8-11)15(18)12-5-3-2-4-10(12)9-16/h2-8,12,17H,1H3
InChIKeyCWGNIYLEAXYXAS-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.08
Rot. Bonds3

About (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone

(2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone (PubChem CID 141258282) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone
PubChem CID141258282
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone
SMILESCOc1ccc(C(=O)C2C=CC=CC2=C=O)c(O)c1
InChIInChI=1S/C15H12O4/c1-19-11-6-7-13(14(17)8-11)15(18)12-5-3-2-4-10(12)9-16/h2-8,12,17H,1H3
InChIKeyCWGNIYLEAXYXAS-UHFFFAOYSA-N
XLogP2.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol
CID 50897006
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 175499515
CID 175499515
CID 172864174
CID 172864174
2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid
CID 141261385
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone
CID 168888121

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone (CID 141258282) is (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone is COc1ccc(C(=O)C2C=CC=CC2=C=O)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone?
The InChIKey is CWGNIYLEAXYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-19-11-6-7-13(14(17)8-11)15(18)12-5-3-2-4-10(12)9-16/h2-8,12,17H,1H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone?
(2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone has a molecular weight of 256.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanone is sourced from PubChem (CID 141258282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).