1-(2-bromophenyl)-2-methylpentan-2-ol

C12H17BrO — CID 80557375

IUPAC1-(2-bromophenyl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)Cc1ccccc1Br
InChIInChI=1S/C12H17BrO/c1-3-8-12(2,14)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyWAEAYGGGPSWQKX-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.54
Rot. Bonds4

About 1-(2-bromophenyl)-2-methylpentan-2-ol

1-(2-bromophenyl)-2-methylpentan-2-ol (PubChem CID 80557375) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-methylpentan-2-ol
PubChem CID80557375
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-(2-bromophenyl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)Cc1ccccc1Br
InChIInChI=1S/C12H17BrO/c1-3-8-12(2,14)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyWAEAYGGGPSWQKX-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
CID 112567710
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
2-[(2-bromophenyl)methyl]-2-ethoxycarbonylpentanoic acid
CID 103974175
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
CID 66049057
2-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methylpentan-1-ol
CID 55055281
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776
1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467175
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-methylpentan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-2-methylpentan-2-ol (CID 80557375) is 1-(2-bromophenyl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-2-methylpentan-2-ol is CCCC(C)(O)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-methylpentan-2-ol?
The InChIKey is WAEAYGGGPSWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-3-8-12(2,14)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-methylpentan-2-ol?
1-(2-bromophenyl)-2-methylpentan-2-ol has a molecular weight of 257.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-methylpentan-2-ol is sourced from PubChem (CID 80557375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).