(4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone

C14H10O3 — CID 54500537

IUPAC(4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone
SMILESO=C=C1C=C(C(=O)c2ccc(O)cc2)C=CC1
InChIInChI=1S/C14H10O3/c15-9-10-2-1-3-12(8-10)14(17)11-4-6-13(16)7-5-11/h1,3-8,16H,2H2
InChIKeyYCCGWVGHOQJLRN-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.22
Rot. Bonds2

About (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone

(4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone (PubChem CID 54500537) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone
PubChem CID54500537
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name(4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone
SMILESO=C=C1C=C(C(=O)c2ccc(O)cc2)C=CC1
InChIInChI=1S/C14H10O3/c15-9-10-2-1-3-12(8-10)14(17)11-4-6-13(16)7-5-11/h1,3-8,16H,2H2
InChIKeyYCCGWVGHOQJLRN-UHFFFAOYSA-N
XLogP2.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-hydroxyphenyl)methanone;isocyanic acid
CID 175572279
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
cesium 4-hydroxybenzoate
CID 162003528
4-(cyclohepta-1,3,6-triene-1-carbonyl)benzaldehyde
CID 143766006
4-hydroxy(11C)benzoic acid
CID 11275035
2-hydroxy-1,2-bis(4-hydroxyphenyl)ethanone
CID 15792828
(4-hydroxybenzoyl)azaniumylideneazanide
CID 132502460
(4-benzoyl-4-fluorocyclohexa-1,5-dien-1-yl)-(4-hydroxyphenyl)methanone
CID 70407739
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone
CID 130695751
[4-(4-hydroxybenzoyl)phenyl] hypoiodite
CID 142136796
4-hydroxybenzoic acid;tetrahydrate
CID 158154319

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone (CID 54500537) is (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone is O=C=C1C=C(C(=O)c2ccc(O)cc2)C=CC1.
What is the InChIKey of (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone?
The InChIKey is YCCGWVGHOQJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-9-10-2-1-3-12(8-10)14(17)11-4-6-13(16)7-5-11/h1,3-8,16H,2H2.
What are the key properties of (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone?
(4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone has a molecular weight of 226.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[3-(oxomethylidene)cyclohexa-1,5-dien-1-yl]methanone is sourced from PubChem (CID 54500537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).