2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one

C14H17FO2 — CID 82083610

IUPAC2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
SMILESCOc1ccc(F)cc1CC1CCCCC1=O
InChIInChI=1S/C14H17FO2/c1-17-14-7-6-12(15)9-11(14)8-10-4-2-3-5-13(10)16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyDNSSEXVGAYDOMV-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.14
Rot. Bonds3

About 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one

2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one (PubChem CID 82083610) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
PubChem CID82083610
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
SMILESCOc1ccc(F)cc1CC1CCCCC1=O
InChIInChI=1S/C14H17FO2/c1-17-14-7-6-12(15)9-11(14)8-10-4-2-3-5-13(10)16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyDNSSEXVGAYDOMV-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
7-methoxy-8-[[(1S)-2-oxocyclohexyl]methyl]naphthalene-2-carbonitrile
CID 141388709
2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
CID 84631904
(2R)-2-[[2,5-dihydroxy-4-[[(1S)-2-oxocycloheptyl]methyl]phenyl]methyl]cycloheptan-1-one
CID 92528936
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84631908
2-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-one
CID 65486903
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
3-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-one
CID 82298629
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
CID 143195185
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one (CID 82083610) is 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one is COc1ccc(F)cc1CC1CCCCC1=O.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
The InChIKey is DNSSEXVGAYDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-17-14-7-6-12(15)9-11(14)8-10-4-2-3-5-13(10)16/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one has a molecular weight of 236.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 82083610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).