1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol

C13H18ClFO — CID 102623078

IUPAC1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
SMILESCCC(C)CC(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFO/c1-3-9(2)6-12(16)8-10-7-11(15)4-5-13(10)14/h4-5,7,9,12,16H,3,6,8H2,1-2H3
InChIKeyPFEVVKKCWIOYTE-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.82
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol

1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol (PubChem CID 102623078) has the molecular formula C13H18ClFO and a molecular weight of 244.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
PubChem CID102623078
Molecular FormulaC13H18ClFO
Molecular Weight244.74 g/mol
Exact Mass244.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
SMILESCCC(C)CC(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFO/c1-3-9(2)6-12(16)8-10-7-11(15)4-5-13(10)14/h4-5,7,9,12,16H,3,6,8H2,1-2H3
InChIKeyPFEVVKKCWIOYTE-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-(4-chlorophenyl)-4-methylhexan-2-ol
CID 62607986
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol (CID 102623078) is 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol is CCC(C)CC(O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol?
The InChIKey is PFEVVKKCWIOYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO/c1-3-9(2)6-12(16)8-10-7-11(15)4-5-13(10)14/h4-5,7,9,12,16H,3,6,8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol?
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol has a molecular weight of 244.74 g/mol, XLogP of 3.82, 5 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)-4-methylhexan-2-ol is sourced from PubChem (CID 102623078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).