4-[4-(2-methylpropyl)phenyl]butanoyl chloride

C14H19ClO — CID 93185946

IUPAC4-[4-(2-methylpropyl)phenyl]butanoyl chloride
SMILESCC(C)Cc1ccc(CCCC(=O)Cl)cc1
InChIInChI=1S/C14H19ClO/c1-11(2)10-13-8-6-12(7-9-13)4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3
InChIKeyIDBLBIXKAWKXMX-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.97
Rot. Bonds6

About 4-[4-(2-methylpropyl)phenyl]butanoyl chloride

4-[4-(2-methylpropyl)phenyl]butanoyl chloride (PubChem CID 93185946) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]butanoyl chloride.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]butanoyl chloride
PubChem CID93185946
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name4-[4-(2-methylpropyl)phenyl]butanoyl chloride
SMILESCC(C)Cc1ccc(CCCC(=O)Cl)cc1
InChIInChI=1S/C14H19ClO/c1-11(2)10-13-8-6-12(7-9-13)4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3
InChIKeyIDBLBIXKAWKXMX-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.97
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

N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
CID 116847692
4-phenylbutanoyl chloride
CID 11789865
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612
5-[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]pentanoic acid
CID 139921983
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
2-[4-(2-methylpropyl)phenyl]ethylcarbamothioic S-acid
CID 115170240

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]butanoyl chloride?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]butanoyl chloride (CID 93185946) is 4-[4-(2-methylpropyl)phenyl]butanoyl chloride.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]butanoyl chloride?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]butanoyl chloride is CC(C)Cc1ccc(CCCC(=O)Cl)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]butanoyl chloride?
The InChIKey is IDBLBIXKAWKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-11(2)10-13-8-6-12(7-9-13)4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)phenyl]butanoyl chloride?
4-[4-(2-methylpropyl)phenyl]butanoyl chloride has a molecular weight of 238.76 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]butanoyl chloride is sourced from PubChem (CID 93185946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).