1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one

C17H24O — CID 64739627

IUPAC1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
SMILESCC1CCC(C(=O)CCc2ccccc2)CC1C
InChIInChI=1S/C17H24O/c1-13-8-10-16(12-14(13)2)17(18)11-9-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3
InChIKeyJKZVCWQJCJLOBR-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.26
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one

1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one (PubChem CID 64739627) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
PubChem CID64739627
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
SMILESCC1CCC(C(=O)CCc2ccccc2)CC1C
InChIInChI=1S/C17H24O/c1-13-8-10-16(12-14(13)2)17(18)11-9-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3
InChIKeyJKZVCWQJCJLOBR-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
2-(2-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64738620
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
CID 107003801
1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-one
CID 79953893
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 64738417
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
(3,4-dimethylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983557
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
ethane;3-phenylpropanoyl chloride
CID 90742356

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one (CID 64739627) is 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one is CC1CCC(C(=O)CCc2ccccc2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one?
The InChIKey is JKZVCWQJCJLOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-13-8-10-16(12-14(13)2)17(18)11-9-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one?
1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one is sourced from PubChem (CID 64739627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).