5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol

C16H17BrO3 — CID 172870374

IUPAC5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
SMILESCOc1cc(Br)cc(CCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C16H17BrO3/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,18H,3-4H2,1-2H3
InChIKeySPCBLNXVLOMTIG-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.96
Rot. Bonds5

About 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol

5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol (PubChem CID 172870374) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
PubChem CID172870374
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
SMILESCOc1cc(Br)cc(CCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C16H17BrO3/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,18H,3-4H2,1-2H3
InChIKeySPCBLNXVLOMTIG-UHFFFAOYSA-N
XLogP3.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol 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

5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
CID 172870436
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
CID 172870557
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol (CID 172870374) is 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol is COc1cc(Br)cc(CCc2ccc(OC)c(O)c2)c1.
What is the InChIKey of 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol?
The InChIKey is SPCBLNXVLOMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,18H,3-4H2,1-2H3.
What are the key properties of 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol?
5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol has a molecular weight of 337.21 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 172870374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).