2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol

C11H14BrClO — CID 117445061

IUPAC2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1c(Cl)cc(Br)cc1C(C)(C)CO
InChIInChI=1S/C11H14BrClO/c1-7-9(11(2,3)6-14)4-8(12)5-10(7)13/h4-5,14H,6H2,1-3H3
InChIKeyHPLKLDORRMNEJT-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.68
Rot. Bonds2

About 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol

2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117445061) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
PubChem CID117445061
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1c(Cl)cc(Br)cc1C(C)(C)CO
InChIInChI=1S/C11H14BrClO/c1-7-9(11(2,3)6-14)4-8(12)5-10(7)13/h4-5,14H,6H2,1-3H3
InChIKeyHPLKLDORRMNEJT-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117406507
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
CID 84668610
2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117303450
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
2-[5-bromo-2-(difluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117447354

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol (CID 117445061) is 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol is Cc1c(Cl)cc(Br)cc1C(C)(C)CO.
What is the InChIKey of 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is HPLKLDORRMNEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-7-9(11(2,3)6-14)4-8(12)5-10(7)13/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol?
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 277.59 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117445061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).