1-(2-chloro-5-methylphenyl)propan-2-one

C10H11ClO — CID 58483794

IUPAC1-(2-chloro-5-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)ccc1Cl
InChIInChI=1S/C10H11ClO/c1-7-3-4-10(11)9(5-7)6-8(2)12/h3-5H,6H2,1-2H3
InChIKeySCFREEFNLSJEHU-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)propan-2-one

1-(2-chloro-5-methylphenyl)propan-2-one (PubChem CID 58483794) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)propan-2-one
PubChem CID58483794
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(2-chloro-5-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)ccc1Cl
InChIInChI=1S/C10H11ClO/c1-7-3-4-10(11)9(5-7)6-8(2)12/h3-5H,6H2,1-2H3
InChIKeySCFREEFNLSJEHU-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
1-[5-(bromomethyl)-2-chlorophenyl]propan-2-one
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1-(2-chloro-5-methylsulfonylphenyl)propan-2-one
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1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
CID 123825546
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
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(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
4-methyl-2-(2-oxopropyl)benzenesulfonic acid
CID 19030411
1-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-2-one
CID 84679044
1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one
CID 118237523
1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
CID 84775039
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-5-methylphenyl)propan-2-one (CID 58483794) is 1-(2-chloro-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)propan-2-one is CC(=O)Cc1cc(C)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)propan-2-one?
The InChIKey is SCFREEFNLSJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-7-3-4-10(11)9(5-7)6-8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)propan-2-one?
1-(2-chloro-5-methylphenyl)propan-2-one has a molecular weight of 182.65 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)propan-2-one is sourced from PubChem (CID 58483794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).