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

C16H21FO — CID 64775002

IUPAC(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C16H21FO/c1-3-12-4-6-13(7-5-12)16(18)14-8-9-15(17)11(2)10-14/h8-10,12-13H,3-7H2,1-2H3
InChIKeyDPXDQBLGTLSPBU-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.53
Rot. Bonds3

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

(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 64775002) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID64775002
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C16H21FO/c1-3-12-4-6-13(7-5-12)16(18)14-8-9-15(17)11(2)10-14/h8-10,12-13H,3-7H2,1-2H3
InChIKeyDPXDQBLGTLSPBU-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-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 65400283
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid
CID 114427211

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone (CID 64775002) is (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone is CCC1CCC(C(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is DPXDQBLGTLSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-3-12-4-6-13(7-5-12)16(18)14-8-9-15(17)11(2)10-14/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone?
(4-ethylcyclohexyl)-(4-fluoro-3-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 (4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 64775002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).