(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol

C17H24ClFO — CID 81045388

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCc1cc(C(O)C2(CC(C)C)CCCC2)c(Cl)cc1F
InChIInChI=1S/C17H24ClFO/c1-11(2)10-17(6-4-5-7-17)16(20)13-8-12(3)15(19)9-14(13)18/h8-9,11,16,20H,4-7,10H2,1-3H3
InChIKeyZGMFPBFWVRAXFP-UHFFFAOYSA-N
MW298.83 g/mol
LogP5.43
Rot. Bonds4

About (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol

(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol (PubChem CID 81045388) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
PubChem CID81045388
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
SMILESCc1cc(C(O)C2(CC(C)C)CCCC2)c(Cl)cc1F
InChIInChI=1S/C17H24ClFO/c1-11(2)10-17(6-4-5-7-17)16(20)13-8-12(3)15(19)9-14(13)18/h8-9,11,16,20H,4-7,10H2,1-3H3
InChIKeyZGMFPBFWVRAXFP-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.83
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-difluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 107475917
(2,5-dibromo-4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81473141
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 81044939
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
CID 116836252
(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 103396133
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
CID 81049292
1-chloro-2-(1-chloro-3-methylbutyl)-5-fluoro-4-methylbenzene
CID 81050654
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol (CID 81045388) is (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol is Cc1cc(C(O)C2(CC(C)C)CCCC2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
The InChIKey is ZGMFPBFWVRAXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-11(2)10-17(6-4-5-7-17)16(20)13-8-12(3)15(19)9-14(13)18/h8-9,11,16,20H,4-7,10H2,1-3H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol?
(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol has a molecular weight of 298.83 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol is sourced from PubChem (CID 81045388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).