1-(3,5-dibromophenyl)-4-phenylbutan-1-ol

C16H16Br2O — CID 107978286

IUPAC1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2O/c17-14-9-13(10-15(18)11-14)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16,19H,4,7-8H2
InChIKeyZORCQEQQRJAAJW-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.27
Rot. Bonds5

About 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol

1-(3,5-dibromophenyl)-4-phenylbutan-1-ol (PubChem CID 107978286) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
PubChem CID107978286
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2O/c17-14-9-13(10-15(18)11-14)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16,19H,4,7-8H2
InChIKeyZORCQEQQRJAAJW-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
1-[4-[3-(4-bromophenoxy)propoxy]phenyl]-4-phenylbutan-1-ol
CID 19382498
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
[1-(3-bromophenyl)-4-phenylbutyl]hydrazine
CID 105197868
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
1-(3-bromo-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849378
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol (CID 107978286) is 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol?
The InChIKey is ZORCQEQQRJAAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c17-14-9-13(10-15(18)11-14)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,16,19H,4,7-8H2.
What are the key properties of 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol?
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol has a molecular weight of 384.11 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 107978286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).