(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone

C19H26O — CID 114601910

IUPAC(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2ccccc2C2CCC2)C1
InChIInChI=1S/C19H26O/c1-2-14-7-5-10-16(13-14)19(20)18-12-4-3-11-17(18)15-8-6-9-15/h3-4,11-12,14-16H,2,5-10,13H2,1H3
InChIKeyJFYMELRJEZXFFK-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.35
Rot. Bonds4

About (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone

(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone (PubChem CID 114601910) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
PubChem CID114601910
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2ccccc2C2CCC2)C1
InChIInChI=1S/C19H26O/c1-2-14-7-5-10-16(13-14)19(20)18-12-4-3-11-17(18)15-8-6-9-15/h3-4,11-12,14-16H,2,5-10,13H2,1H3
InChIKeyJFYMELRJEZXFFK-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
ethyl 2-cyclobutylbenzoate
CID 106942755
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone (CID 114601910) is (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)c2ccccc2C2CCC2)C1.
What is the InChIKey of (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone?
The InChIKey is JFYMELRJEZXFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-2-14-7-5-10-16(13-14)19(20)18-12-4-3-11-17(18)15-8-6-9-15/h3-4,11-12,14-16H,2,5-10,13H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone?
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone has a molecular weight of 270.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 114601910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).