4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol

C16H16ClFO — CID 114860116

IUPAC4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
SMILESOC(CCCc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H16ClFO/c17-14-10-9-12(15(18)11-14)7-4-8-16(19)13-5-2-1-3-6-13/h1-3,5-6,9-11,16,19H,4,7-8H2
InChIKeyLGDNRPGMAUDOSW-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.54
Rot. Bonds5

About 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol

4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol (PubChem CID 114860116) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
PubChem CID114860116
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
SMILESOC(CCCc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H16ClFO/c17-14-10-9-12(15(18)11-14)7-4-8-16(19)13-5-2-1-3-6-13/h1-3,5-6,9-11,16,19H,4,7-8H2
InChIKeyLGDNRPGMAUDOSW-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
CID 107888245
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
CID 64513522
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(4-bromo-5-methylhexyl)-4-chloro-2-fluorobenzene
CID 114860163
[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199286
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
CID 71103035
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine
CID 114860033

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol (CID 114860116) is 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol is OC(CCCc1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol?
The InChIKey is LGDNRPGMAUDOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c17-14-10-9-12(15(18)11-14)7-4-8-16(19)13-5-2-1-3-6-13/h1-3,5-6,9-11,16,19H,4,7-8H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol?
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol has a molecular weight of 278.75 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 114860116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).