1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol

C17H19BrO3 — CID 104661097

IUPAC1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2ccc(OC)cc2)cc1Br
InChIInChI=1S/C17H19BrO3/c1-3-21-17-9-6-13(11-15(17)18)16(19)10-12-4-7-14(20-2)8-5-12/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyZJTZQMCNQFTBIK-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol

1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol (PubChem CID 104661097) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
PubChem CID104661097
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2ccc(OC)cc2)cc1Br
InChIInChI=1S/C17H19BrO3/c1-3-21-17-9-6-13(11-15(17)18)16(19)10-12-4-7-14(20-2)8-5-12/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyZJTZQMCNQFTBIK-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 65476638
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 104661074
1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 104661035
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
2-bromo-4-[bromo-(3-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661798
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol (CID 104661097) is 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol is CCOc1ccc(C(O)Cc2ccc(OC)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol?
The InChIKey is ZJTZQMCNQFTBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-3-21-17-9-6-13(11-15(17)18)16(19)10-12-4-7-14(20-2)8-5-12/h4-9,11,16,19H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol?
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol has a molecular weight of 351.24 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 104661097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).