1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one

C12H15ClO — CID 58252483

IUPAC1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)C)ccc1Cl
InChIInChI=1S/C12H15ClO/c1-8-7-9(5-6-10(8)13)11(14)12(2,3)4/h5-7H,1-4H3
InChIKeyYEKUCXIZPCGQIP-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.88
Rot. Bonds1

About 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one

1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one (PubChem CID 58252483) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
PubChem CID58252483
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)C)ccc1Cl
InChIInChI=1S/C12H15ClO/c1-8-7-9(5-6-10(8)13)11(14)12(2,3)4/h5-7H,1-4H3
InChIKeyYEKUCXIZPCGQIP-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-chloro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146005911
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
2-[2-chloro-4-(2,2-dimethylpropanoyl)phenyl]acetic acid
CID 54332575
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
CID 91658550
1-(4-chloro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 112698739
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one (CID 58252483) is 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one is Cc1cc(C(=O)C(C)(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is YEKUCXIZPCGQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8-7-9(5-6-10(8)13)11(14)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one?
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 210.70 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58252483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).