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

C17H19BrO3 — CID 104661137

IUPAC1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2cccc(OC)c2)cc1Br
InChIInChI=1S/C17H19BrO3/c1-3-21-17-8-7-13(11-15(17)18)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyJLBLUCMNJBFKSZ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.13
Rot. Bonds6

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

1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol (PubChem CID 104661137) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
PubChem CID104661137
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2cccc(OC)c2)cc1Br
InChIInChI=1S/C17H19BrO3/c1-3-21-17-8-7-13(11-15(17)18)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyJLBLUCMNJBFKSZ-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)ethanamine
CID 104657422
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
2-bromo-4-[bromo-(3-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661798
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
2-bromo-4-[1-bromo-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
CID 104661726
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
CID 104661522

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol (CID 104661137) is 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol is CCOc1ccc(C(O)Cc2cccc(OC)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is JLBLUCMNJBFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-3-21-17-8-7-13(11-15(17)18)16(19)10-12-5-4-6-14(9-12)20-2/h4-9,11,16,19H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol?
1-(3-bromo-4-ethoxyphenyl)-2-(3-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-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 104661137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).