(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C17H23FO — CID 114970746

IUPAC(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cc(F)ccc1C(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H23FO/c1-12(2)11-17(8-4-5-9-17)16(19)15-7-6-14(18)10-13(15)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyLDWNWFLHWLDTLM-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.92
Rot. Bonds4

About (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 114970746) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID114970746
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cc(F)ccc1C(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H23FO/c1-12(2)11-17(8-4-5-9-17)16(19)15-7-6-14(18)10-13(15)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyLDWNWFLHWLDTLM-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106877039
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970137
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106647512
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115781751

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 114970746) is (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is Cc1cc(F)ccc1C(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is LDWNWFLHWLDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-12(2)11-17(8-4-5-9-17)16(19)15-7-6-14(18)10-13(15)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 262.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 114970746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).