(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone

C16H21FO — CID 65401304

IUPAC(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCC1CCCC(C(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C16H21FO/c1-3-12-5-4-6-13(10-12)16(18)15-8-7-14(17)9-11(15)2/h7-9,12-13H,3-6,10H2,1-2H3
InChIKeyDJRSHQYSMXOJGI-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.53
Rot. Bonds3

About (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone

(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 65401304) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID65401304
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCC1CCCC(C(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C16H21FO/c1-3-12-5-4-6-13(10-12)16(18)15-8-7-14(17)9-11(15)2/h7-9,12-13H,3-6,10H2,1-2H3
InChIKeyDJRSHQYSMXOJGI-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278
2-(2,4-difluorophenyl)-1-(3-ethylcyclohexyl)ethanone
CID 64560411
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347257
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192043
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone (CID 65401304) is (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone is CCC1CCCC(C(=O)c2ccc(F)cc2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is DJRSHQYSMXOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-3-12-5-4-6-13(10-12)16(18)15-8-7-14(17)9-11(15)2/h7-9,12-13H,3-6,10H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone?
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 248.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 65401304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).