4-[(5-bromo-2-methoxyphenyl)methoxy]phenol

C14H13BrO3 — CID 54971308

IUPAC4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(Br)cc1COc1ccc(O)cc1
InChIInChI=1S/C14H13BrO3/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyNVOFYBAITBTFIZ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.74
Rot. Bonds4

About 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol

4-[(5-bromo-2-methoxyphenyl)methoxy]phenol (PubChem CID 54971308) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
PubChem CID54971308
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(Br)cc1COc1ccc(O)cc1
InChIInChI=1S/C14H13BrO3/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyNVOFYBAITBTFIZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol 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

methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
4-[(5-bromo-2-methoxyphenyl)methoxy]-2-chlorobenzenecarbothioamide
CID 102724204
N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782055

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol?
The IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol (CID 54971308) is 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol.
What is the SMILES notation for 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol?
The canonical SMILES for 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol is COc1ccc(Br)cc1COc1ccc(O)cc1.
What is the InChIKey of 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol?
The InChIKey is NVOFYBAITBTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol?
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol has a molecular weight of 309.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methoxyphenyl)methoxy]phenol is sourced from PubChem (CID 54971308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).