1-(4-bromophenyl)-3,3-dimethylbutan-2-ol

C12H17BrO — CID 60798446

IUPAC1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrO/c1-12(2,3)11(14)8-9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3
InChIKeyAUODCSZSIURJCP-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.40
Rot. Bonds2

About 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol

1-(4-bromophenyl)-3,3-dimethylbutan-2-ol (PubChem CID 60798446) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
PubChem CID60798446
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrO/c1-12(2,3)11(14)8-9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3
InChIKeyAUODCSZSIURJCP-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
CID 63083837
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
CID 63201446
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
1-bromo-4-(2-bromo-4,5,5-trimethylhexyl)benzene
CID 63834724
1-(4-bromophenyl)sulfanyl-3,3-dimethylbutan-2-ol
CID 60728564

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol (CID 60798446) is 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is AUODCSZSIURJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-12(2,3)11(14)8-9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol?
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 257.17 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 60798446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).