4-(4-chlorophenyl)pentanoyl chloride

C11H12Cl2O — CID 15332553

IUPAC4-(4-chlorophenyl)pentanoyl chloride
SMILESCC(CCC(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2O/c1-8(2-7-11(13)14)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyRXVXPMTZCNXZOI-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.99
Rot. Bonds4

About 4-(4-chlorophenyl)pentanoyl chloride

4-(4-chlorophenyl)pentanoyl chloride (PubChem CID 15332553) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 4-(4-chlorophenyl)pentanoyl chloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)pentanoyl chloride
PubChem CID15332553
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name4-(4-chlorophenyl)pentanoyl chloride
SMILESCC(CCC(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2O/c1-8(2-7-11(13)14)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyRXVXPMTZCNXZOI-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(5-chloropentan-2-yl)benzene
CID 154098348
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
methyl (4S)-4-(4-sulfanylphenyl)pentanoate
CID 144794590
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63377850

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)pentanoyl chloride?
The IUPAC name of 4-(4-chlorophenyl)pentanoyl chloride (CID 15332553) is 4-(4-chlorophenyl)pentanoyl chloride.
What is the SMILES notation for 4-(4-chlorophenyl)pentanoyl chloride?
The canonical SMILES for 4-(4-chlorophenyl)pentanoyl chloride is CC(CCC(=O)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)pentanoyl chloride?
The InChIKey is RXVXPMTZCNXZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-8(2-7-11(13)14)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-(4-chlorophenyl)pentanoyl chloride?
4-(4-chlorophenyl)pentanoyl chloride has a molecular weight of 231.12 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)pentanoyl chloride is sourced from PubChem (CID 15332553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).