2-(2-bromophenyl)-6-methylheptan-2-ol

C14H21BrO — CID 83157247

IUPAC2-(2-bromophenyl)-6-methylheptan-2-ol
SMILESCC(C)CCCC(C)(O)c1ccccc1Br
InChIInChI=1S/C14H21BrO/c1-11(2)7-6-10-14(3,16)12-8-4-5-9-13(12)15/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyWHSJGXOTTHFDAG-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.48
Rot. Bonds5

About 2-(2-bromophenyl)-6-methylheptan-2-ol

2-(2-bromophenyl)-6-methylheptan-2-ol (PubChem CID 83157247) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-methylheptan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-methylheptan-2-ol
PubChem CID83157247
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name2-(2-bromophenyl)-6-methylheptan-2-ol
SMILESCC(C)CCCC(C)(O)c1ccccc1Br
InChIInChI=1S/C14H21BrO/c1-11(2)7-6-10-14(3,16)12-8-4-5-9-13(12)15/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyWHSJGXOTTHFDAG-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)octan-2-ol
CID 65145246
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
4-[2-(2-bromophenyl)-2-hydroxypropyl]-N,N-di(propan-2-yl)benzamide
CID 102495326
2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103005777
5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol
CID 25112062
5-methyl-2-quinolin-8-ylhexan-2-ol
CID 114280033
methyl 3-(2-bromophenyl)-3-hydroxybutanoate
CID 171366058

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-methylheptan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-6-methylheptan-2-ol (CID 83157247) is 2-(2-bromophenyl)-6-methylheptan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-6-methylheptan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-6-methylheptan-2-ol is CC(C)CCCC(C)(O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-6-methylheptan-2-ol?
The InChIKey is WHSJGXOTTHFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-11(2)7-6-10-14(3,16)12-8-4-5-9-13(12)15/h4-5,8-9,11,16H,6-7,10H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-6-methylheptan-2-ol?
2-(2-bromophenyl)-6-methylheptan-2-ol has a molecular weight of 285.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-methylheptan-2-ol is sourced from PubChem (CID 83157247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).