1-(2-bromophenyl)-4-phenoxybutan-2-ol

C16H17BrO2 — CID 60798661

IUPAC1-(2-bromophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C16H17BrO2/c17-16-9-5-4-6-13(16)12-14(18)10-11-19-15-7-2-1-3-8-15/h1-9,14,18H,10-12H2
InChIKeyWVWKECSNZBLYRO-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.82
Rot. Bonds6

About 1-(2-bromophenyl)-4-phenoxybutan-2-ol

1-(2-bromophenyl)-4-phenoxybutan-2-ol (PubChem CID 60798661) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-phenoxybutan-2-ol
PubChem CID60798661
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-(2-bromophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C16H17BrO2/c17-16-9-5-4-6-13(16)12-14(18)10-11-19-15-7-2-1-3-8-15/h1-9,14,18H,10-12H2
InChIKeyWVWKECSNZBLYRO-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diphenoxypentan-3-ol
CID 5314309
1-bromo-2-[2-(chloromethyl)-4-phenoxybutyl]benzene
CID 66049907
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1-phenoxyhept-6-yn-3-ol
CID 63657279
1-(2-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089901
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
CID 82920706
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-4-phenoxybutan-2-ol (CID 60798661) is 1-(2-bromophenyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-4-phenoxybutan-2-ol is OC(CCOc1ccccc1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-4-phenoxybutan-2-ol?
The InChIKey is WVWKECSNZBLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c17-16-9-5-4-6-13(16)12-14(18)10-11-19-15-7-2-1-3-8-15/h1-9,14,18H,10-12H2.
What are the key properties of 1-(2-bromophenyl)-4-phenoxybutan-2-ol?
1-(2-bromophenyl)-4-phenoxybutan-2-ol has a molecular weight of 321.21 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 60798661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).