2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol

C13H19BrO3 — CID 117488230

IUPAC2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
SMILESCCc1c(C(C)CO)cc(Br)c(OC)c1OC
InChIInChI=1S/C13H19BrO3/c1-5-9-10(8(2)7-15)6-11(14)13(17-4)12(9)16-3/h6,8,15H,5,7H2,1-4H3
InChIKeySGWYWQUHLJEZJD-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.12
Rot. Bonds5

About 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol

2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 117488230) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
PubChem CID117488230
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
SMILESCCc1c(C(C)CO)cc(Br)c(OC)c1OC
InChIInChI=1S/C13H19BrO3/c1-5-9-10(8(2)7-15)6-11(14)13(17-4)12(9)16-3/h6,8,15H,5,7H2,1-4H3
InChIKeySGWYWQUHLJEZJD-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 117489356
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117488073
3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117432464
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol (CID 117488230) is 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol is CCc1c(C(C)CO)cc(Br)c(OC)c1OC.
What is the InChIKey of 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is SGWYWQUHLJEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-5-9-10(8(2)7-15)6-11(14)13(17-4)12(9)16-3/h6,8,15H,5,7H2,1-4H3.
What are the key properties of 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol?
2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117488230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).