1-(2-chloro-3-fluorophenyl)hexan-3-ol

C12H16ClFO — CID 112654007

IUPAC1-(2-chloro-3-fluorophenyl)hexan-3-ol
SMILESCCCC(O)CCc1cccc(F)c1Cl
InChIInChI=1S/C12H16ClFO/c1-2-4-10(15)8-7-9-5-3-6-11(14)12(9)13/h3,5-6,10,15H,2,4,7-8H2,1H3
InChIKeyZAVMPBSNDMYJBO-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)hexan-3-ol

1-(2-chloro-3-fluorophenyl)hexan-3-ol (PubChem CID 112654007) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)hexan-3-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)hexan-3-ol
PubChem CID112654007
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-(2-chloro-3-fluorophenyl)hexan-3-ol
SMILESCCCC(O)CCc1cccc(F)c1Cl
InChIInChI=1S/C12H16ClFO/c1-2-4-10(15)8-7-9-5-3-6-11(14)12(9)13/h3,5-6,10,15H,2,4,7-8H2,1H3
InChIKeyZAVMPBSNDMYJBO-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

4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-3-fluorobenzene
CID 112654030
1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 112653492
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
CID 112652674
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)hexan-3-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)hexan-3-ol (CID 112654007) is 1-(2-chloro-3-fluorophenyl)hexan-3-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)hexan-3-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)hexan-3-ol is CCCC(O)CCc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)hexan-3-ol?
The InChIKey is ZAVMPBSNDMYJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-2-4-10(15)8-7-9-5-3-6-11(14)12(9)13/h3,5-6,10,15H,2,4,7-8H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)hexan-3-ol?
1-(2-chloro-3-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-(2-chloro-3-fluorophenyl)hexan-3-ol is sourced from PubChem (CID 112654007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).