1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one

C14H18O — CID 24726531

IUPAC1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(CCC(=O)C2CC2)c1
InChIInChI=1S/C14H18O/c1-10-7-11(2)9-12(8-10)3-6-14(15)13-4-5-13/h7-9,13H,3-6H2,1-2H3
InChIKeyPPWXFIUFJGYPLY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds4

About 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one

1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one (PubChem CID 24726531) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
PubChem CID24726531
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)cc(CCC(=O)C2CC2)c1
InChIInChI=1S/C14H18O/c1-10-7-11(2)9-12(8-10)3-6-14(15)13-4-5-13/h7-9,13H,3-6H2,1-2H3
InChIKeyPPWXFIUFJGYPLY-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
1,3-bis(3,5-dimethylphenyl)propan-1-one
CID 24726508
1-cyclopropyl-3-(3-methoxy-5-nitrophenyl)propan-1-one
CID 81155288
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one (CID 24726531) is 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one is Cc1cc(C)cc(CCC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one?
The InChIKey is PPWXFIUFJGYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-7-11(2)9-12(8-10)3-6-14(15)13-4-5-13/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one?
1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).