(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone

C19H28O — CID 116543287

IUPAC(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCCC1CCCC(C(=O)c2cccc(CC(C)C)c2)C1
InChIInChI=1S/C19H28O/c1-4-15-7-5-9-17(12-15)19(20)18-10-6-8-16(13-18)11-14(2)3/h6,8,10,13-15,17H,4-5,7,9,11-12H2,1-3H3
InChIKeyHTJKRDBKPANTPE-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.28
Rot. Bonds5

About (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone

(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 116543287) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID116543287
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCCC1CCCC(C(=O)c2cccc(CC(C)C)c2)C1
InChIInChI=1S/C19H28O/c1-4-15-7-5-9-17(12-15)19(20)18-10-6-8-16(13-18)11-14(2)3/h6,8,10,13-15,17H,4-5,7,9,11-12H2,1-3H3
InChIKeyHTJKRDBKPANTPE-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(aminomethyl)cyclohexyl]-[3-(2-methylpropyl)phenyl]methanone
CID 116592552
(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
CID 116547715
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
CID 130342338
[3-(2-methylpropyl)phenyl]-(thian-2-yl)methanone
CID 116543418
[(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105233003
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
CID 116554085
3-(aminomethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748016

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone (CID 116543287) is (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone is CCC1CCCC(C(=O)c2cccc(CC(C)C)c2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is HTJKRDBKPANTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-4-15-7-5-9-17(12-15)19(20)18-10-6-8-16(13-18)11-14(2)3/h6,8,10,13-15,17H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone?
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 272.43 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116543287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).