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

C16H17BrO2 — CID 63457370

IUPAC4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
SMILESCCc1cccc(OCc2cc(Br)ccc2OC)c1
InChIInChI=1S/C16H17BrO2/c1-3-12-5-4-6-15(9-12)19-11-13-10-14(17)7-8-16(13)18-2/h4-10H,3,11H2,1-2H3
InChIKeyQSRWASYFBGXGRQ-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.60
Rot. Bonds5

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

4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene (PubChem CID 63457370) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
PubChem CID63457370
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
SMILESCCc1cccc(OCc2cc(Br)ccc2OC)c1
InChIInChI=1S/C16H17BrO2/c1-3-12-5-4-6-15(9-12)19-11-13-10-14(17)7-8-16(13)18-2/h4-10H,3,11H2,1-2H3
InChIKeyQSRWASYFBGXGRQ-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033776
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene (CID 63457370) is 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene is CCc1cccc(OCc2cc(Br)ccc2OC)c1.
What is the InChIKey of 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene?
The InChIKey is QSRWASYFBGXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-3-12-5-4-6-15(9-12)19-11-13-10-14(17)7-8-16(13)18-2/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene?
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene has a molecular weight of 321.21 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 63457370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).