1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol

C12H17BrO2 — CID 65328089

IUPAC1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)C(C)C)c1
InChIInChI=1S/C12H17BrO2/c1-8(2)12(14)7-9-6-10(15-3)4-5-11(9)13/h4-6,8,12,14H,7H2,1-3H3
InChIKeyMNEDXOUVNFJUAQ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol (PubChem CID 65328089) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
PubChem CID65328089
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)C(C)C)c1
InChIInChI=1S/C12H17BrO2/c1-8(2)12(14)7-9-6-10(15-3)4-5-11(9)13/h4-6,8,12,14H,7H2,1-3H3
InChIKeyMNEDXOUVNFJUAQ-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol (CID 65328089) is 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol is COc1ccc(Br)c(CC(O)C(C)C)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol?
The InChIKey is MNEDXOUVNFJUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8(2)12(14)7-9-6-10(15-3)4-5-11(9)13/h4-6,8,12,14H,7H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 65328089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).