1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone

C15H15ClO4 — CID 118351374

IUPAC1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(Cl)cc2)CC(O)(C(C)=O)O1
InChIInChI=1S/C15H15ClO4/c1-9(17)14-7-12(8-15(19,20-14)10(2)18)11-3-5-13(16)6-4-11/h3-7,12,19H,8H2,1-2H3
InChIKeyJCMUCYQOJVMGAD-UHFFFAOYSA-N
MW294.73 g/mol
LogP2.59
Rot. Bonds3

About 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone

1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone (PubChem CID 118351374) has the molecular formula C15H15ClO4 and a molecular weight of 294.73 g/mol. Its IUPAC name is 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
PubChem CID118351374
Molecular FormulaC15H15ClO4
Molecular Weight294.73 g/mol
Exact Mass294.07
IUPAC Name1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(Cl)cc2)CC(O)(C(C)=O)O1
InChIInChI=1S/C15H15ClO4/c1-9(17)14-7-12(8-15(19,20-14)10(2)18)11-3-5-13(16)6-4-11/h3-7,12,19H,8H2,1-2H3
InChIKeyJCMUCYQOJVMGAD-UHFFFAOYSA-N
XLogP2.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone 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

7-(4-Chlorophenyl)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)heptanoic acid
CID 15616467
5-(4-Chlorophenyl)-3-hydroxycyclohex-2-en-1-one
CID 3366869
Ethyl 4-(4-chlorophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-2-carboxylate
CID 46907005
[5-(4-Chlorophenyl)-3-oxocyclohexen-1-yl] acetate
CID 2806100
2-[(4-Chlorophenyl)methyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione
CID 172457688
3-Chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one
CID 10751858
3-[1-(4-Chlorophenyl)ethyl]-4-hydroxy-6-methylpyran-2-one
CID 102258853
(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284595
1-[2-Acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
CID 118351372
1-[2-Acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone
CID 118351380
Ethyl 6-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-2-carboxylate
CID 118351409
5-acetyl-4-(4-chlorophenyl)-2-fluoro-6-methyl-4H-pyran-3-carboxylic acid
CID 141394195

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
The IUPAC name of 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone (CID 118351374) is 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone.
What is the SMILES notation for 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
The canonical SMILES for 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone is CC(=O)C1=CC(c2ccc(Cl)cc2)CC(O)(C(C)=O)O1.
What is the InChIKey of 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
The InChIKey is JCMUCYQOJVMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4/c1-9(17)14-7-12(8-15(19,20-14)10(2)18)11-3-5-13(16)6-4-11/h3-7,12,19H,8H2,1-2H3.
What are the key properties of 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone has a molecular weight of 294.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone is sourced from PubChem (CID 118351374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).