2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol

C11H15BrO3 — CID 117439713

IUPAC2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1c(Br)ccc(C(C)CO)c1OC
InChIInChI=1S/C11H15BrO3/c1-7(6-13)8-4-5-9(12)11(15-3)10(8)14-2/h4-5,7,13H,6H2,1-3H3
InChIKeyBAJNSWJBFAEVNC-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol

2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol (PubChem CID 117439713) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
PubChem CID117439713
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1c(Br)ccc(C(C)CO)c1OC
InChIInChI=1S/C11H15BrO3/c1-7(6-13)8-4-5-9(12)11(15-3)10(8)14-2/h4-5,7,13H,6H2,1-3H3
InChIKeyBAJNSWJBFAEVNC-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117488230
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
CID 117379900
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol (CID 117439713) is 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol is COc1c(Br)ccc(C(C)CO)c1OC.
What is the InChIKey of 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol?
The InChIKey is BAJNSWJBFAEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-7(6-13)8-4-5-9(12)11(15-3)10(8)14-2/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol?
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol has a molecular weight of 275.14 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117439713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).