1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol

C16H15ClF2O — CID 115791241

IUPAC1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H15ClF2O/c17-13-10-14(18)12(9-15(13)19)16(20)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,16,20H,4,7-8H2
InChIKeyXKAKMUABECYGJL-UHFFFAOYSA-N
MW296.74 g/mol
LogP4.67
Rot. Bonds5

About 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol

1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol (PubChem CID 115791241) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
PubChem CID115791241
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C16H15ClF2O/c17-13-10-14(18)12(9-15(13)19)16(20)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,16,20H,4,7-8H2
InChIKeyXKAKMUABECYGJL-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
CID 107888245
1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 115808880
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
CID 103053443
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
CID 115819128

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol (CID 115791241) is 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol?
The InChIKey is XKAKMUABECYGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c17-13-10-14(18)12(9-15(13)19)16(20)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,16,20H,4,7-8H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol?
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol has a molecular weight of 296.74 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 115791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).