2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol

C12H17BrO — CID 66060049

IUPAC2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1ccccc1Br
InChIInChI=1S/C12H17BrO/c1-9(2)11(8-14)7-10-5-3-4-6-12(10)13/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyMZPILUUKHOBUFH-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol

2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol (PubChem CID 66060049) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
PubChem CID66060049
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1ccccc1Br
InChIInChI=1S/C12H17BrO/c1-9(2)11(8-14)7-10-5-3-4-6-12(10)13/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyMZPILUUKHOBUFH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115051968
2-[(2-bromophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79449753
1-(2-bromophenyl)-4-ethylhexane-2,3-diol
CID 103459647
1-(2-bromophenyl)-2-methylpentan-3-one
CID 10967063
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
CID 84729687
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol (CID 66060049) is 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is MZPILUUKHOBUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-9(2)11(8-14)7-10-5-3-4-6-12(10)13/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol?
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 66060049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).