2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol

C17H24ClFO — CID 115831198

IUPAC2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
SMILESCC(C)CC1(C(O)Cc2cccc(F)c2Cl)CCCC1
InChIInChI=1S/C17H24ClFO/c1-12(2)11-17(8-3-4-9-17)15(20)10-13-6-5-7-14(19)16(13)18/h5-7,12,15,20H,3-4,8-11H2,1-2H3
InChIKeyROFVRZRDGKPBQK-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.99
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol

2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol (PubChem CID 115831198) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
PubChem CID115831198
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
SMILESCC(C)CC1(C(O)Cc2cccc(F)c2Cl)CCCC1
InChIInChI=1S/C17H24ClFO/c1-12(2)11-17(8-3-4-9-17)15(20)10-13-6-5-7-14(19)16(13)18/h5-7,12,15,20H,3-4,8-11H2,1-2H3
InChIKeyROFVRZRDGKPBQK-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 102867488
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
CID 102867504
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560237
2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 112655719
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 105032675
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylcyclopropyl)ethanamine
CID 112653897
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
[2-(2-bromo-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105327110

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol (CID 115831198) is 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol is CC(C)CC1(C(O)Cc2cccc(F)c2Cl)CCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
The InChIKey is ROFVRZRDGKPBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-12(2)11-17(8-3-4-9-17)15(20)10-13-6-5-7-14(19)16(13)18/h5-7,12,15,20H,3-4,8-11H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol has a molecular weight of 298.83 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol is sourced from PubChem (CID 115831198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).