1-(4-butyl-2-chlorophenyl)ethanone

C12H15ClO — CID 106659109

IUPAC1-(4-butyl-2-chlorophenyl)ethanone
SMILESCCCCc1ccc(C(C)=O)c(Cl)c1
InChIInChI=1S/C12H15ClO/c1-3-4-5-10-6-7-11(9(2)14)12(13)8-10/h6-8H,3-5H2,1-2H3
InChIKeyHXRJNJXRAOJVTH-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-butyl-2-chlorophenyl)ethanone

1-(4-butyl-2-chlorophenyl)ethanone (PubChem CID 106659109) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(4-butyl-2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-butyl-2-chlorophenyl)ethanone
PubChem CID106659109
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(4-butyl-2-chlorophenyl)ethanone
SMILESCCCCc1ccc(C(C)=O)c(Cl)c1
InChIInChI=1S/C12H15ClO/c1-3-4-5-10-6-7-11(9(2)14)12(13)8-10/h6-8H,3-5H2,1-2H3
InChIKeyHXRJNJXRAOJVTH-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-chloro-4-pentylbenzoate
CID 154455158
1-[2-chloro-4-(iodomethyl)phenyl]ethanone
CID 89335114
methyl 2-chloro-4-octylbenzoate
CID 135308122
1-(2-butyl-3,4-dichlorophenyl)ethanone
CID 67116165
ethyl 2-(4-acetyl-3-chlorophenyl)acetate
CID 121231968
(4-butyl-2-chlorophenyl)methanol
CID 22508825
2-chloro-4-propylbenzohydrazide
CID 138958414
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
4-butyl-2-hydroxybenzoic acid
CID 14895249
4-butyl-2-chlorobenzaldehyde
CID 106659115
ethyl 4-(3-bromopropyl)-2-chlorobenzoate
CID 134645155
2,4-dibutyl-1-chlorobenzene
CID 18417644

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-2-chlorophenyl)ethanone?
The IUPAC name of 1-(4-butyl-2-chlorophenyl)ethanone (CID 106659109) is 1-(4-butyl-2-chlorophenyl)ethanone.
What is the SMILES notation for 1-(4-butyl-2-chlorophenyl)ethanone?
The canonical SMILES for 1-(4-butyl-2-chlorophenyl)ethanone is CCCCc1ccc(C(C)=O)c(Cl)c1.
What is the InChIKey of 1-(4-butyl-2-chlorophenyl)ethanone?
The InChIKey is HXRJNJXRAOJVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-3-4-5-10-6-7-11(9(2)14)12(13)8-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(4-butyl-2-chlorophenyl)ethanone?
1-(4-butyl-2-chlorophenyl)ethanone has a molecular weight of 210.70 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-2-chlorophenyl)ethanone is sourced from PubChem (CID 106659109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).