2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol

C11H15BrO2 — CID 117401030

IUPAC2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)ccc(C)c1Br
InChIInChI=1S/C11H15BrO2/c1-7-4-5-9(8(2)6-13)11(14-3)10(7)12/h4-5,8,13H,6H2,1-3H3
InChIKeyVZLPDMPSWXPOPO-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.86
Rot. Bonds3

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

2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol (PubChem CID 117401030) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
PubChem CID117401030
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)ccc(C)c1Br
InChIInChI=1S/C11H15BrO2/c1-7-4-5-9(8(2)6-13)11(14-3)10(7)12/h4-5,8,13H,6H2,1-3H3
InChIKeyVZLPDMPSWXPOPO-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117314688
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 117411724
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol (CID 117401030) is 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol is COc1c(C(C)CO)ccc(C)c1Br.
What is the InChIKey of 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol?
The InChIKey is VZLPDMPSWXPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7-4-5-9(8(2)6-13)11(14-3)10(7)12/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol?
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 117401030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).