2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one

C17H23FO2 — CID 104792635

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C17H23FO2/c1-3-5-12-8-9-15(19)14(10-12)11-13-6-4-7-16(20-2)17(13)18/h4,6-7,12,14H,3,5,8-11H2,1-2H3
InChIKeyAKXDHBUBMQAYNU-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.16
Rot. Bonds5

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one (PubChem CID 104792635) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one
PubChem CID104792635
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C17H23FO2/c1-3-5-12-8-9-15(19)14(10-12)11-13-6-4-7-16(20-2)17(13)18/h4,6-7,12,14H,3,5,8-11H2,1-2H3
InChIKeyAKXDHBUBMQAYNU-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
CID 55186341
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-one
CID 63399488
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 63482830
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
2-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylcyclohexan-1-one
CID 65323404
2-[2-(3-bromophenoxy)ethyl]-4-propylcyclohexan-1-one
CID 63399217
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one (CID 104792635) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(Cc2cccc(OC)c2F)C1.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is AKXDHBUBMQAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-3-5-12-8-9-15(19)14(10-12)11-13-6-4-7-16(20-2)17(13)18/h4,6-7,12,14H,3,5,8-11H2,1-2H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one?
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 278.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 104792635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).