1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one

C15H19ClO — CID 123649072

IUPAC1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cccc(C2(C)CC2)c1Cl
InChIInChI=1S/C15H19ClO/c1-14(2,3)13(17)10-6-5-7-11(12(10)16)15(4)8-9-15/h5-7H,8-9H2,1-4H3
InChIKeyCDWLHDNTSZPARF-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.62
Rot. Bonds2

About 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one

1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 123649072) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID123649072
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cccc(C2(C)CC2)c1Cl
InChIInChI=1S/C15H19ClO/c1-14(2,3)13(17)10-6-5-7-11(12(10)16)15(4)8-9-15/h5-7H,8-9H2,1-4H3
InChIKeyCDWLHDNTSZPARF-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methylcyclopropyl)benzoyl chloride
CID 118196176
2-chloro-6-(1-methylcyclopropyl)phenol
CID 174458816
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 68607874
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
CID 79601820
1-(2,5-dichloro-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 146009509
1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide
CID 69053192
2-(difluoromethyl)-6-(1-methylcyclopropyl)benzoic acid
CID 134168030
2,2-dimethyl-1-(3-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-one
CID 59505385
1-(3-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 59544884
1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
CID 600258

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one (CID 123649072) is 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cccc(C2(C)CC2)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is CDWLHDNTSZPARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-14(2,3)13(17)10-6-5-7-11(12(10)16)15(4)8-9-15/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one?
1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 250.77 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 123649072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).