1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene

C16H17BrO3 — CID 61267436

IUPAC1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2cc(OC)ccc2CBr)c1
InChIInChI=1S/C16H17BrO3/c1-18-14-5-3-4-12(8-14)11-20-16-9-15(19-2)7-6-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyNBKNPCUOAWDKJP-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.18
Rot. Bonds6

About 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene

1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene (PubChem CID 61267436) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
PubChem CID61267436
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2cc(OC)ccc2CBr)c1
InChIInChI=1S/C16H17BrO3/c1-18-14-5-3-4-12(8-14)11-20-16-9-15(19-2)7-6-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyNBKNPCUOAWDKJP-UHFFFAOYSA-N
XLogP4.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.18
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

2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene (CID 61267436) is 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene is COc1cccc(COc2cc(OC)ccc2CBr)c1.
What is the InChIKey of 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene?
The InChIKey is NBKNPCUOAWDKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-18-14-5-3-4-12(8-14)11-20-16-9-15(19-2)7-6-13(16)10-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene?
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene has a molecular weight of 337.21 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 61267436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).