1-(3-chloro-4-fluorophenyl)hexan-3-ol

C12H16ClFO — CID 103040807

IUPAC1-(3-chloro-4-fluorophenyl)hexan-3-ol
SMILESCCCC(O)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFO/c1-2-3-10(15)6-4-9-5-7-12(14)11(13)8-9/h5,7-8,10,15H,2-4,6H2,1H3
InChIKeySNJQERWVZQDEEF-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)hexan-3-ol

1-(3-chloro-4-fluorophenyl)hexan-3-ol (PubChem CID 103040807) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)hexan-3-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)hexan-3-ol
PubChem CID103040807
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-(3-chloro-4-fluorophenyl)hexan-3-ol
SMILESCCCC(O)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFO/c1-2-3-10(15)6-4-9-5-7-12(14)11(13)8-9/h5,7-8,10,15H,2-4,6H2,1H3
InChIKeySNJQERWVZQDEEF-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-Chlorophenyl)-propan-1-ol
CID 221970
4-Chlorobenzenepropanol
CID 221971
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
m-Chlorophenethylic alcohol
CID 78856
(1S)-1-(3-chlorophenyl)ethan-1-ol
CID 6950741
1-(3-Chlorophenyl)-2,2,2-trifluoroethanol
CID 12184802
1-(3-Chloro-4-fluorophenyl)undeca-2,4-diyne-1,6-diol
CID 142726649
3-Chloro-alpha-methylbenzenemethanol
CID 97779
(1S)-1-(3-chlorophenyl)propan-1-ol
CID 11116501
(1R)-1-(3-chlorophenyl)ethan-1-ol
CID 6950742
3-(3-Chlorophenyl)propan-1-ol
CID 9989667

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)hexan-3-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)hexan-3-ol (CID 103040807) is 1-(3-chloro-4-fluorophenyl)hexan-3-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)hexan-3-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)hexan-3-ol is CCCC(O)CCc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)hexan-3-ol?
The InChIKey is SNJQERWVZQDEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-2-3-10(15)6-4-9-5-7-12(14)11(13)8-9/h5,7-8,10,15H,2-4,6H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)hexan-3-ol?
1-(3-chloro-4-fluorophenyl)hexan-3-ol has a molecular weight of 230.71 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)hexan-3-ol is sourced from PubChem (CID 103040807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).