(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone

C14H17FO2 — CID 107176454

IUPAC(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC2C)c(F)c1
InChIInChI=1S/C14H17FO2/c1-9-4-3-5-11(9)14(16)12-7-6-10(17-2)8-13(12)15/h6-9,11H,3-5H2,1-2H3
InChIKeyMGRMYYUSZNDXIL-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.45
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone

(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176454) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176454
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC2C)c(F)c1
InChIInChI=1S/C14H17FO2/c1-9-4-3-5-11(9)14(16)12-7-6-10(17-2)8-13(12)15/h6-9,11H,3-5H2,1-2H3
InChIKeyMGRMYYUSZNDXIL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
CID 97063399

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone (CID 107176454) is (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone is COc1ccc(C(=O)C2CCCC2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is MGRMYYUSZNDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9-4-3-5-11(9)14(16)12-7-6-10(17-2)8-13(12)15/h6-9,11H,3-5H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).