1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol

C11H14BrClO — CID 115796560

IUPAC1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClO/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10,14H,1-3H3
InChIKeyUCXSHQYTXUVCGP-UHFFFAOYSA-N
MW277.59 g/mol
LogP4.18
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol

1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 115796560) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID115796560
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClO/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10,14H,1-3H3
InChIKeyUCXSHQYTXUVCGP-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171267829
1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 131513048
1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 107477055
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
1-(5-bromo-2-chlorophenyl)-N,2-dimethylpropan-1-amine
CID 114979016
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol (CID 115796560) is 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is UCXSHQYTXUVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10,14H,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol?
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 277.59 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115796560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).