5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol

C17H19BrO4 — CID 172870436

IUPAC5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCc2cc(Br)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H19BrO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h6-10,19H,4-5H2,1-3H3
InChIKeyBWKSJZGVLIGJJH-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.97
Rot. Bonds6

About 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol

5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol (PubChem CID 172870436) has the molecular formula C17H19BrO4 and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
PubChem CID172870436
Molecular FormulaC17H19BrO4
Molecular Weight367.24 g/mol
Exact Mass366.05
IUPAC Name5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCc2cc(Br)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H19BrO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h6-10,19H,4-5H2,1-3H3
InChIKeyBWKSJZGVLIGJJH-UHFFFAOYSA-N
XLogP3.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
CID 172870374
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
3-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-4-methylbenzoic acid
CID 159532616
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
5-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
CID 146075484
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
(3-bromo-4,5-dimethoxyphenyl)methanesulfonamide
CID 165443466

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol (CID 172870436) is 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol is COc1ccc(CCc2cc(Br)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol?
The InChIKey is BWKSJZGVLIGJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO4/c1-20-15-7-6-11(9-14(15)19)4-5-12-8-13(18)17(22-3)16(10-12)21-2/h6-10,19H,4-5H2,1-3H3.
What are the key properties of 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol?
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol has a molecular weight of 367.24 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 172870436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).