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

C16H16BrFO — CID 65149561

IUPAC1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrFO/c1-11(12-5-3-2-4-6-12)16(19)10-13-9-14(18)7-8-15(13)17/h2-9,11,16,19H,10H2,1H3
InChIKeyATSHFCYQUSOXCS-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.30
Rot. Bonds4

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

1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol (PubChem CID 65149561) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
PubChem CID65149561
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrFO/c1-11(12-5-3-2-4-6-12)16(19)10-13-9-14(18)7-8-15(13)17/h2-9,11,16,19H,10H2,1H3
InChIKeyATSHFCYQUSOXCS-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
3-(2-bromo-5-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
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1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
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1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
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2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793090

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol (CID 65149561) is 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol?
The InChIKey is ATSHFCYQUSOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-11(12-5-3-2-4-6-12)16(19)10-13-9-14(18)7-8-15(13)17/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol?
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol has a molecular weight of 323.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 65149561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).