2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol

C12H16BrClO — CID 82779190

IUPAC2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClO/c1-4-8(2)12(3,15)10-6-5-9(13)7-11(10)14/h5-8,15H,4H2,1-3H3
InChIKeyOMVLVLDWWCFNAA-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.36
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol

2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol (PubChem CID 82779190) has the molecular formula C12H16BrClO and a molecular weight of 291.62 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
PubChem CID82779190
Molecular FormulaC12H16BrClO
Molecular Weight291.62 g/mol
Exact Mass290.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClO/c1-4-8(2)12(3,15)10-6-5-9(13)7-11(10)14/h5-8,15H,4H2,1-3H3
InChIKeyOMVLVLDWWCFNAA-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
3-(aminomethyl)-2-(4-bromo-2-chlorophenyl)hexan-2-ol
CID 82781129
ethyl 3-(4-bromo-2-chlorophenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 82780485
2-[1-(4-bromo-2-chlorophenyl)-1-hydroxyethyl]pentanenitrile
CID 82781123
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
CID 82781421
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol (CID 82779190) is 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol is CCC(C)C(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol?
The InChIKey is OMVLVLDWWCFNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO/c1-4-8(2)12(3,15)10-6-5-9(13)7-11(10)14/h5-8,15H,4H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol?
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol has a molecular weight of 291.62 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 82779190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).