4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol

C16H21F3O2 — CID 115787298

IUPAC4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
SMILESOC(CCC1CCCC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H21F3O2/c17-16(18,19)21-15-9-6-13(7-10-15)11-14(20)8-5-12-3-1-2-4-12/h6-7,9-10,12,14,20H,1-5,8,11H2
InChIKeyMHZUGMRPWGOVJP-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.46
Rot. Bonds6

About 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol

4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol (PubChem CID 115787298) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
PubChem CID115787298
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
SMILESOC(CCC1CCCC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H21F3O2/c17-16(18,19)21-15-9-6-13(7-10-15)11-14(20)8-5-12-3-1-2-4-12/h6-7,9-10,12,14,20H,1-5,8,11H2
InChIKeyMHZUGMRPWGOVJP-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220
1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 103560075
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
4-cyclopentyl-1-(6-methoxy-3-pyridinyl)butan-2-ol
CID 114192018
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol?
The IUPAC name of 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol (CID 115787298) is 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol is OC(CCC1CCCC1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol?
The InChIKey is MHZUGMRPWGOVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c17-16(18,19)21-15-9-6-13(7-10-15)11-14(20)8-5-12-3-1-2-4-12/h6-7,9-10,12,14,20H,1-5,8,11H2.
What are the key properties of 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol?
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol has a molecular weight of 302.34 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 115787298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).