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

C12H16ClFO — CID 115784419

IUPAC1-(2-chloro-3-fluorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cccc(F)c1Cl
InChIInChI=1S/C12H16ClFO/c1-2-3-4-8-11(15)9-6-5-7-10(14)12(9)13/h5-7,11,15H,2-4,8H2,1H3
InChIKeyTWWXYYQRXDJFHU-UHFFFAOYSA-N
MW230.71 g/mol
LogP4.09
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)hexan-1-ol (PubChem CID 115784419) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)hexan-1-ol
PubChem CID115784419
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-(2-chloro-3-fluorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cccc(F)c1Cl
InChIInChI=1S/C12H16ClFO/c1-2-3-4-8-11(15)9-6-5-7-10(14)12(9)13/h5-7,11,15H,2-4,8H2,1H3
InChIKeyTWWXYYQRXDJFHU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
2-chloro-1-fluoro-3-pentan-2-ylbenzene
CID 166688461
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
CID 130804035
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)hexan-1-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)hexan-1-ol (CID 115784419) is 1-(2-chloro-3-fluorophenyl)hexan-1-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)hexan-1-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)hexan-1-ol is CCCCCC(O)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)hexan-1-ol?
The InChIKey is TWWXYYQRXDJFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-2-3-4-8-11(15)9-6-5-7-10(14)12(9)13/h5-7,11,15H,2-4,8H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)hexan-1-ol?
1-(2-chloro-3-fluorophenyl)hexan-1-ol has a molecular weight of 230.71 g/mol, XLogP of 4.09, 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-1-ol is sourced from PubChem (CID 115784419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).