2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene

C17H19BrO5 — CID 23538777

IUPAC2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene
SMILESCOCOc1c(Br)c(OC)cc(-c2ccc(OC)cc2)c1OC
InChIInChI=1S/C17H19BrO5/c1-19-10-23-17-15(18)14(21-3)9-13(16(17)22-4)11-5-7-12(20-2)8-6-11/h5-9H,10H2,1-4H3
InChIKeySJELKDQVUVHFOC-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.12
Rot. Bonds7

About 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene

2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene (PubChem CID 23538777) has the molecular formula C17H19BrO5 and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene
PubChem CID23538777
Molecular FormulaC17H19BrO5
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene
SMILESCOCOc1c(Br)c(OC)cc(-c2ccc(OC)cc2)c1OC
InChIInChI=1S/C17H19BrO5/c1-19-10-23-17-15(18)14(21-3)9-13(16(17)22-4)11-5-7-12(20-2)8-6-11/h5-9H,10H2,1-4H3
InChIKeySJELKDQVUVHFOC-UHFFFAOYSA-N
XLogP4.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene?
The IUPAC name of 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene (CID 23538777) is 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene.
What is the SMILES notation for 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene?
The canonical SMILES for 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene is COCOc1c(Br)c(OC)cc(-c2ccc(OC)cc2)c1OC.
What is the InChIKey of 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene?
The InChIKey is SJELKDQVUVHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO5/c1-19-10-23-17-15(18)14(21-3)9-13(16(17)22-4)11-5-7-12(20-2)8-6-11/h5-9H,10H2,1-4H3.
What are the key properties of 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene?
2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene has a molecular weight of 383.24 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene is sourced from PubChem (CID 23538777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).