(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol

C13H16F2O — CID 65401333

IUPAC(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H16F2O/c1-8-2-3-9(6-8)13(16)11-5-4-10(14)7-12(11)15/h4-5,7-9,13,16H,2-3,6H2,1H3
InChIKeyHHPMPHAJEWHXPP-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.43
Rot. Bonds2

About (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol

(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol (PubChem CID 65401333) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
PubChem CID65401333
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H16F2O/c1-8-2-3-9(6-8)13(16)11-5-4-10(14)7-12(11)15/h4-5,7-9,13,16H,2-3,6H2,1H3
InChIKeyHHPMPHAJEWHXPP-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
CID 118309422
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
CID 102831364
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol (CID 65401333) is (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol is CC1CCC(C(O)c2ccc(F)cc2F)C1.
What is the InChIKey of (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol?
The InChIKey is HHPMPHAJEWHXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8-2-3-9(6-8)13(16)11-5-4-10(14)7-12(11)15/h4-5,7-9,13,16H,2-3,6H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol?
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol has a molecular weight of 226.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3-methylcyclopentyl)methanol is sourced from PubChem (CID 65401333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).