1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol

C13H18ClFO — CID 102623136

IUPAC1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
SMILESCC(C)C(C)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFO/c1-8(2)9(3)13(16)7-10-6-11(15)4-5-12(10)14/h4-6,8-9,13,16H,7H2,1-3H3
InChIKeyWLUUPMLLZKHJKA-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol

1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol (PubChem CID 102623136) has the molecular formula C13H18ClFO and a molecular weight of 244.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
PubChem CID102623136
Molecular FormulaC13H18ClFO
Molecular Weight244.74 g/mol
Exact Mass244.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
SMILESCC(C)C(C)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFO/c1-8(2)9(3)13(16)7-10-6-11(15)4-5-12(10)14/h4-6,8-9,13,16H,7H2,1-3H3
InChIKeyWLUUPMLLZKHJKA-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
3-[(2-chloro-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 102616760
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(2-chloro-5-fluorophenyl)-1-pyridin-4-ylethanol
CID 102617218

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol (CID 102623136) is 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol is CC(C)C(C)C(O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol?
The InChIKey is WLUUPMLLZKHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO/c1-8(2)9(3)13(16)7-10-6-11(15)4-5-12(10)14/h4-6,8-9,13,16H,7H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol?
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol has a molecular weight of 244.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol is sourced from PubChem (CID 102623136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).