(3-ethylcyclohexyl)-(2-ethylphenyl)methanone

C17H24O — CID 114976419

IUPAC(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)C1CCCC(CC)C1
InChIInChI=1S/C17H24O/c1-3-13-8-7-10-15(12-13)17(18)16-11-6-5-9-14(16)4-2/h5-6,9,11,13,15H,3-4,7-8,10,12H2,1-2H3
InChIKeyMDHQJHTULULDJY-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.65
Rot. Bonds4

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

(3-ethylcyclohexyl)-(2-ethylphenyl)methanone (PubChem CID 114976419) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
PubChem CID114976419
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)C1CCCC(CC)C1
InChIInChI=1S/C17H24O/c1-3-13-8-7-10-15(12-13)17(18)16-11-6-5-9-14(16)4-2/h5-6,9,11,13,15H,3-4,7-8,10,12H2,1-2H3
InChIKeyMDHQJHTULULDJY-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
CID 82731354
(2-ethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944562
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2-ethylphenyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(2-ethylphenyl)methanone (CID 114976419) is (3-ethylcyclohexyl)-(2-ethylphenyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(2-ethylphenyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)C1CCCC(CC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2-ethylphenyl)methanone?
The InChIKey is MDHQJHTULULDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-13-8-7-10-15(12-13)17(18)16-11-6-5-9-14(16)4-2/h5-6,9,11,13,15H,3-4,7-8,10,12H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(2-ethylphenyl)methanone?
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone has a molecular weight of 244.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2-ethylphenyl)methanone is sourced from PubChem (CID 114976419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).