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

C16H16ClFO — CID 107888245

IUPAC4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
SMILESOC(CCCc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16ClFO/c17-14-10-9-12(11-15(14)18)5-4-8-16(19)13-6-2-1-3-7-13/h1-3,6-7,9-11,16,19H,4-5,8H2
InChIKeyOKUMWDYLFWIQFB-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.54
Rot. Bonds5

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

4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol (PubChem CID 107888245) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
PubChem CID107888245
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
SMILESOC(CCCc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16ClFO/c17-14-10-9-12(11-15(14)18)5-4-8-16(19)13-6-2-1-3-7-13/h1-3,6-7,9-11,16,19H,4-5,8H2
InChIKeyOKUMWDYLFWIQFB-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

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Related Compounds

4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
CID 107888269
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
CID 64513522
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
CID 64506775
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol (CID 107888245) is 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol is OC(CCCc1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol?
The InChIKey is OKUMWDYLFWIQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c17-14-10-9-12(11-15(14)18)5-4-8-16(19)13-6-2-1-3-7-13/h1-3,6-7,9-11,16,19H,4-5,8H2.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol?
4-(4-chloro-3-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-3-fluorophenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 107888245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).