4-bromo-2-methoxy-1-(phenoxymethyl)benzene

C14H13BrO2 — CID 117219523

IUPAC4-bromo-2-methoxy-1-(phenoxymethyl)benzene
SMILESCOc1cc(Br)ccc1COc1ccccc1
InChIInChI=1S/C14H13BrO2/c1-16-14-9-12(15)8-7-11(14)10-17-13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyZEVDQRSGYAQEJD-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds4

About 4-bromo-2-methoxy-1-(phenoxymethyl)benzene

4-bromo-2-methoxy-1-(phenoxymethyl)benzene (PubChem CID 117219523) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1-(phenoxymethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-methoxy-1-(phenoxymethyl)benzene
PubChem CID117219523
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name4-bromo-2-methoxy-1-(phenoxymethyl)benzene
SMILESCOc1cc(Br)ccc1COc1ccccc1
InChIInChI=1S/C14H13BrO2/c1-16-14-9-12(15)8-7-11(14)10-17-13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyZEVDQRSGYAQEJD-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
4-[(4-bromophenoxy)methyl]-3-methoxyaniline
CID 114112246
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
4-bromo-1-(ethoxymethyl)-2-methoxybenzene
CID 117219856
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
4-[(2-bromophenoxy)methyl]-3-methoxyphenol
CID 117219537
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1-(phenoxymethyl)benzene?
The IUPAC name of 4-bromo-2-methoxy-1-(phenoxymethyl)benzene (CID 117219523) is 4-bromo-2-methoxy-1-(phenoxymethyl)benzene.
What is the SMILES notation for 4-bromo-2-methoxy-1-(phenoxymethyl)benzene?
The canonical SMILES for 4-bromo-2-methoxy-1-(phenoxymethyl)benzene is COc1cc(Br)ccc1COc1ccccc1.
What is the InChIKey of 4-bromo-2-methoxy-1-(phenoxymethyl)benzene?
The InChIKey is ZEVDQRSGYAQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-16-14-9-12(15)8-7-11(14)10-17-13-5-3-2-4-6-13/h2-9H,10H2,1H3.
What are the key properties of 4-bromo-2-methoxy-1-(phenoxymethyl)benzene?
4-bromo-2-methoxy-1-(phenoxymethyl)benzene has a molecular weight of 293.16 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-1-(phenoxymethyl)benzene is sourced from PubChem (CID 117219523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).