(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone

C16H21FO2 — CID 82808493

IUPAC(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCC1CCCC(C(=O)c2cccc(OC)c2F)C1
InChIInChI=1S/C16H21FO2/c1-3-11-6-4-7-12(10-11)16(18)13-8-5-9-14(19-2)15(13)17/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyNEOWLSCKAJIIGJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.23
Rot. Bonds4

About (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone

(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 82808493) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID82808493
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCC1CCCC(C(=O)c2cccc(OC)c2F)C1
InChIInChI=1S/C16H21FO2/c1-3-11-6-4-7-12(10-11)16(18)13-8-5-9-14(19-2)15(13)17/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyNEOWLSCKAJIIGJ-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 65407174
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone (CID 82808493) is (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone is CCC1CCCC(C(=O)c2cccc(OC)c2F)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is NEOWLSCKAJIIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-3-11-6-4-7-12(10-11)16(18)13-8-5-9-14(19-2)15(13)17/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone?
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 264.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 82808493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).