1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene

C17H19BrO3 — CID 62112704

IUPAC1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene
SMILESCOc1ccc(C(CBr)OCc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19BrO3/c1-19-15-8-6-14(7-9-15)17(11-18)21-12-13-4-3-5-16(10-13)20-2/h3-10,17H,11-12H2,1-2H3
InChIKeyCVNOCHIEFVWQAH-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.36
Rot. Bonds7

About 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene

1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene (PubChem CID 62112704) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene
PubChem CID62112704
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene
SMILESCOc1ccc(C(CBr)OCc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19BrO3/c1-19-15-8-6-14(7-9-15)17(11-18)21-12-13-4-3-5-16(10-13)20-2/h3-10,17H,11-12H2,1-2H3
InChIKeyCVNOCHIEFVWQAH-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]benzene
CID 82831276
2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106822
2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106102
1-(2-bromo-1-hexoxyethyl)-3-methoxybenzene
CID 62108343
1-[[2-(bromomethyl)-3-methylbutoxy]methyl]-3-methoxybenzene
CID 65012343
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
2-[(3-methoxyphenyl)methoxy]-N-methyl-2-(2-methylphenyl)ethanamine
CID 62106288
1-(2-bromo-1-propan-2-yloxyethyl)-3-methoxybenzene
CID 62113687
1-[2-bromo-1-(3,3,3-trifluoropropoxy)ethyl]-3-methoxybenzene
CID 82958918
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436

Frequently Asked Questions

What is the IUPAC name of 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene (CID 62112704) is 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene is COc1ccc(C(CBr)OCc2cccc(OC)c2)cc1.
What is the InChIKey of 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene?
The InChIKey is CVNOCHIEFVWQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-19-15-8-6-14(7-9-15)17(11-18)21-12-13-4-3-5-16(10-13)20-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene?
1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene has a molecular weight of 351.24 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene is sourced from PubChem (CID 62112704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).