(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone

C16H22O — CID 64728480

IUPAC(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H22O/c1-11-5-4-6-14(8-11)16(17)15-9-12(2)7-13(3)10-15/h4-6,8,12-13,15H,7,9-10H2,1-3H3
InChIKeyALFSAUREGWLVMF-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.25
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone

(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone (PubChem CID 64728480) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone
PubChem CID64728480
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H22O/c1-11-5-4-6-14(8-11)16(17)15-9-12(2)7-13(3)10-15/h4-6,8,12-13,15H,7,9-10H2,1-3H3
InChIKeyALFSAUREGWLVMF-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816
(3-methylphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950874
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone
CID 114962656
bis(3-methylphenyl)methanone
CID 17848
ethyl 3-methylbenzoate;ethyl 3-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160703508
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
(3,5-dimethylcyclohexyl)-(4-methoxyphenyl)methanone
CID 64729483
(3-methylbenzoyl)azanium
CID 153183849
3-methylbenzoic acid
CID 7418
9H-fluoren-9-ylmethyl 3-(3-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950869
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone?
The IUPAC name of (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone (CID 64728480) is (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2CC(C)CC(C)C2)c1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone?
The InChIKey is ALFSAUREGWLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-5-4-6-14(8-11)16(17)15-9-12(2)7-13(3)10-15/h4-6,8,12-13,15H,7,9-10H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone?
(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 64728480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).