1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol

C13H19BrO2 — CID 115836125

IUPAC1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1ccc(Br)cc1C
InChIInChI=1S/C13H19BrO2/c1-9(6-7-16-3)13(15)12-5-4-11(14)8-10(12)2/h4-5,8-9,13,15H,6-7H2,1-3H3
InChIKeyIXPFZUUYMASWNM-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol

1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 115836125) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol
PubChem CID115836125
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1ccc(Br)cc1C
InChIInChI=1S/C13H19BrO2/c1-9(6-7-16-3)13(15)12-5-4-11(14)8-10(12)2/h4-5,8-9,13,15H,6-7H2,1-3H3
InChIKeyIXPFZUUYMASWNM-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-4-methoxybutan-1-ol
CID 115839496
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
1-(4-bromo-2-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105054811
1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044773
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836226
N-[4-(4-bromo-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884118
1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836120
1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
CID 115788916
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
CID 64604230
1-(4-bromo-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044722
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol (CID 115836125) is 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol is COCCC(C)C(O)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is IXPFZUUYMASWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-9(6-7-16-3)13(15)12-5-4-11(14)8-10(12)2/h4-5,8-9,13,15H,6-7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol?
1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 115836125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).