2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol

C11H15BrO — CID 117359057

IUPAC2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)CO)ccc1Br
InChIInChI=1S/C11H15BrO/c1-8-6-9(4-5-10(8)12)11(2,3)7-13/h4-6,13H,7H2,1-3H3
InChIKeyOTTIHTNZRWZCLP-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.03
Rot. Bonds2

About 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol

2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117359057) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
PubChem CID117359057
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)CO)ccc1Br
InChIInChI=1S/C11H15BrO/c1-8-6-9(4-5-10(8)12)11(2,3)7-13/h4-6,13H,7H2,1-3H3
InChIKeyOTTIHTNZRWZCLP-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
CID 117113672
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
CID 117432962
1-bromo-2-methyl-4-(2-methyl-1-nitropropan-2-yl)benzene
CID 135351121
2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117482119
[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate
CID 150894997
1-bromo-4-(2-fluoropropan-2-yl)-2-methylbenzene;ethane
CID 176941673
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol (CID 117359057) is 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol is Cc1cc(C(C)(C)CO)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is OTTIHTNZRWZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-8-6-9(4-5-10(8)12)11(2,3)7-13/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol?
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 243.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117359057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).