2-(4-bromophenyl)-3-methylpentan-2-ol

C12H17BrO — CID 79445926

IUPAC2-(4-bromophenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrO/c1-4-9(2)12(3,14)10-5-7-11(13)8-6-10/h5-9,14H,4H2,1-3H3
InChIKeyCERFHDZJWRSVJE-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.70
Rot. Bonds3

About 2-(4-bromophenyl)-3-methylpentan-2-ol

2-(4-bromophenyl)-3-methylpentan-2-ol (PubChem CID 79445926) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methylpentan-2-ol
PubChem CID79445926
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-(4-bromophenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrO/c1-4-9(2)12(3,14)10-5-7-11(13)8-6-10/h5-9,14H,4H2,1-3H3
InChIKeyCERFHDZJWRSVJE-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-phenylpentan-2-ol
CID 13024634
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
3-(4-bromophenyl)-3-hydroxy-2-methylbutanenitrile
CID 79131056
ethyl 3-(4-bromophenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62396402
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
CID 7233361
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methylpentan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-3-methylpentan-2-ol (CID 79445926) is 2-(4-bromophenyl)-3-methylpentan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-methylpentan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-methylpentan-2-ol is CCC(C)C(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-methylpentan-2-ol?
The InChIKey is CERFHDZJWRSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-4-9(2)12(3,14)10-5-7-11(13)8-6-10/h5-9,14H,4H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-3-methylpentan-2-ol?
2-(4-bromophenyl)-3-methylpentan-2-ol has a molecular weight of 257.17 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 79445926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).