6-[(2-hydroxyphenyl)methylidene]oxan-2-one

C12H12O3 — CID 91096607

IUPAC6-[(2-hydroxyphenyl)methylidene]oxan-2-one
SMILESO=C1CCCC(=Cc2ccccc2O)O1
InChIInChI=1S/C12H12O3/c13-11-6-2-1-4-9(11)8-10-5-3-7-12(14)15-10/h1-2,4,6,8,13H,3,5,7H2
InChIKeyFOYLPBUIQUPKSV-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.46
Rot. Bonds1

About 6-[(2-hydroxyphenyl)methylidene]oxan-2-one

6-[(2-hydroxyphenyl)methylidene]oxan-2-one (PubChem CID 91096607) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-[(2-hydroxyphenyl)methylidene]oxan-2-one.

Molecular Properties

Compound Name6-[(2-hydroxyphenyl)methylidene]oxan-2-one
PubChem CID91096607
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name6-[(2-hydroxyphenyl)methylidene]oxan-2-one
SMILESO=C1CCCC(=Cc2ccccc2O)O1
InChIInChI=1S/C12H12O3/c13-11-6-2-1-4-9(11)8-10-5-3-7-12(14)15-10/h1-2,4,6,8,13H,3,5,7H2
InChIKeyFOYLPBUIQUPKSV-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-hydroxyphenyl)methylidene]oxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-6-benzylideneoxan-2-one
CID 101488172
2-(3H-1-benzofuran-2-ylidenemethyl)phenol
CID 139847693
benzoyl benzoate;oxane-2,6-dione;oxolane-2,5-dione
CID 162105428
(2,6-13C2)oxane-2,6-dione
CID 45039353
(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
CID 10243649
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-oxazol-4-one
CID 70951046
methanol;oxane-2,6-dione
CID 175106856
(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
CID 58825310
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
2-(1-benzofuran-3-ylidenemethyl)phenol
CID 175329416
deuterio-(2-hydroxyphenyl)methanone
CID 91063368
(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823576

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxyphenyl)methylidene]oxan-2-one?
The IUPAC name of 6-[(2-hydroxyphenyl)methylidene]oxan-2-one (CID 91096607) is 6-[(2-hydroxyphenyl)methylidene]oxan-2-one.
What is the SMILES notation for 6-[(2-hydroxyphenyl)methylidene]oxan-2-one?
The canonical SMILES for 6-[(2-hydroxyphenyl)methylidene]oxan-2-one is O=C1CCCC(=Cc2ccccc2O)O1.
What is the InChIKey of 6-[(2-hydroxyphenyl)methylidene]oxan-2-one?
The InChIKey is FOYLPBUIQUPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-6-2-1-4-9(11)8-10-5-3-7-12(14)15-10/h1-2,4,6,8,13H,3,5,7H2.
What are the key properties of 6-[(2-hydroxyphenyl)methylidene]oxan-2-one?
6-[(2-hydroxyphenyl)methylidene]oxan-2-one has a molecular weight of 204.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxyphenyl)methylidene]oxan-2-one is sourced from PubChem (CID 91096607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).