1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol

C12H16ClFO — CID 82802177

IUPAC1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFO/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-5,8,10,15H,6-7H2,1-2H3
InChIKeyRQMVBFWWFSZYPJ-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.43
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol

1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol (PubChem CID 82802177) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
PubChem CID82802177
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFO/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-5,8,10,15H,6-7H2,1-2H3
InChIKeyRQMVBFWWFSZYPJ-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(3-chloro-2-fluorophenyl)-4-methylheptan-2-ol
CID 82801942
1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 62606503
1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
CID 102862274
1-(3-chloro-2-fluorophenyl)-4-methylpent-4-en-2-ol
CID 82803294
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol (CID 82802177) is 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol is CC(C)CC(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol?
The InChIKey is RQMVBFWWFSZYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-5,8,10,15H,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol?
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol has a molecular weight of 230.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 82802177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).