3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride

C15H19ClO — CID 19938397

IUPAC3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride
SMILESCc1cccc(C(CC(=O)Cl)C2CCCC2)c1
InChIInChI=1S/C15H19ClO/c1-11-5-4-8-13(9-11)14(10-15(16)17)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3
InChIKeyZPFFINBXSADSEA-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.42
Rot. Bonds4

About 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride

3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride (PubChem CID 19938397) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride.

Molecular Properties

Compound Name3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride
PubChem CID19938397
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride
SMILESCc1cccc(C(CC(=O)Cl)C2CCCC2)c1
InChIInChI=1S/C15H19ClO/c1-11-5-4-8-13(9-11)14(10-15(16)17)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3
InChIKeyZPFFINBXSADSEA-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride?
The IUPAC name of 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride (CID 19938397) is 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride.
What is the SMILES notation for 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride?
The canonical SMILES for 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride is Cc1cccc(C(CC(=O)Cl)C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride?
The InChIKey is ZPFFINBXSADSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-11-5-4-8-13(9-11)14(10-15(16)17)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3.
What are the key properties of 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride?
3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride has a molecular weight of 250.77 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(3-methylphenyl)propanoyl chloride is sourced from PubChem (CID 19938397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).