1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol

C13H19BrO2 — CID 117463259

IUPAC1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
SMILESCOc1c(Br)cc(CC(C)O)cc1C(C)C
InChIInChI=1S/C13H19BrO2/c1-8(2)11-6-10(5-9(3)15)7-12(14)13(11)16-4/h6-9,15H,5H2,1-4H3
InChIKeyOAXLPDVYVSYPNF-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol

1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol (PubChem CID 117463259) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
PubChem CID117463259
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
SMILESCOc1c(Br)cc(CC(C)O)cc1C(C)C
InChIInChI=1S/C13H19BrO2/c1-8(2)11-6-10(5-9(3)15)7-12(14)13(11)16-4/h6-9,15H,5H2,1-4H3
InChIKeyOAXLPDVYVSYPNF-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
CID 69245767
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117443726
[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117497551
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol (CID 117463259) is 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol is COc1c(Br)cc(CC(C)O)cc1C(C)C.
What is the InChIKey of 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol?
The InChIKey is OAXLPDVYVSYPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-8(2)11-6-10(5-9(3)15)7-12(14)13(11)16-4/h6-9,15H,5H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol?
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 117463259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).