2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol

C12H17BrO3 — CID 117467060

IUPAC2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
SMILESCCOc1c(OC)ccc(Br)c1C(C)CO
InChIInChI=1S/C12H17BrO3/c1-4-16-12-10(15-3)6-5-9(13)11(12)8(2)7-14/h5-6,8,14H,4,7H2,1-3H3
InChIKeyITZGSHOFJZYUTA-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.95
Rot. Bonds5

About 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol

2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol (PubChem CID 117467060) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
PubChem CID117467060
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
SMILESCCOc1c(OC)ccc(Br)c1C(C)CO
InChIInChI=1S/C12H17BrO3/c1-4-16-12-10(15-3)6-5-9(13)11(12)8(2)7-14/h5-6,8,14H,4,7H2,1-3H3
InChIKeyITZGSHOFJZYUTA-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117488224
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol (CID 117467060) is 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol is CCOc1c(OC)ccc(Br)c1C(C)CO.
What is the InChIKey of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol?
The InChIKey is ITZGSHOFJZYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-4-16-12-10(15-3)6-5-9(13)11(12)8(2)7-14/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol?
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117467060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).