1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol

C16H16BrFO — CID 79701342

IUPAC1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFO/c17-14-8-13(9-15(18)11-14)10-16(19)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,16,19H,6-7,10H2
InChIKeySQCFDBSCFDDSFQ-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.12
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol

1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol (PubChem CID 79701342) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol
PubChem CID79701342
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFO/c17-14-8-13(9-15(18)11-14)10-16(19)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,16,19H,6-7,10H2
InChIKeySQCFDBSCFDDSFQ-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
CID 55095424
1-(3-bromo-5-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-ol
CID 103147832
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 79701916
1,6-diphenylhexane-2,5-diol
CID 15072586
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol (CID 79701342) is 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol?
The InChIKey is SQCFDBSCFDDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c17-14-8-13(9-15(18)11-14)10-16(19)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,16,19H,6-7,10H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol?
1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol has a molecular weight of 323.21 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol is sourced from PubChem (CID 79701342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).