2-(4-cyclohexylphenyl)-2-oxoacetyl chloride

C14H15ClO2 — CID 11107786

IUPAC2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H15ClO2/c15-14(17)13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyNOJSKVILCFRAGR-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride

2-(4-cyclohexylphenyl)-2-oxoacetyl chloride (PubChem CID 11107786) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
PubChem CID11107786
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H15ClO2/c15-14(17)13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyNOJSKVILCFRAGR-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid
CID 23458492
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
2-(4-cyclopropylphenyl)-2-oxoacetic acid
CID 117281739
1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
CID 19261549
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride?
The IUPAC name of 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride (CID 11107786) is 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride is O=C(Cl)C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride?
The InChIKey is NOJSKVILCFRAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c15-14(17)13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride?
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride has a molecular weight of 250.72 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2-oxoacetyl chloride is sourced from PubChem (CID 11107786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).