1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene

C19H23BrO2 — CID 59157684

IUPAC1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene
SMILESCOCOCCc1ccc(Cc2cc(Br)c(C)cc2C)cc1
InChIInChI=1S/C19H23BrO2/c1-14-10-15(2)19(20)12-18(14)11-17-6-4-16(5-7-17)8-9-22-13-21-3/h4-7,10,12H,8-9,11,13H2,1-3H3
InChIKeyNSDSEZKHEJKJSQ-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.82
Rot. Bonds7

About 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene

1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene (PubChem CID 59157684) has the molecular formula C19H23BrO2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene
PubChem CID59157684
Molecular FormulaC19H23BrO2
Molecular Weight363.30 g/mol
Exact Mass362.09
IUPAC Name1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene
SMILESCOCOCCc1ccc(Cc2cc(Br)c(C)cc2C)cc1
InChIInChI=1S/C19H23BrO2/c1-14-10-15(2)19(20)12-18(14)11-17-6-4-16(5-7-17)8-9-22-13-21-3/h4-7,10,12H,8-9,11,13H2,1-3H3
InChIKeyNSDSEZKHEJKJSQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene (CID 59157684) is 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene is COCOCCc1ccc(Cc2cc(Br)c(C)cc2C)cc1.
What is the InChIKey of 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene?
The InChIKey is NSDSEZKHEJKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO2/c1-14-10-15(2)19(20)12-18(14)11-17-6-4-16(5-7-17)8-9-22-13-21-3/h4-7,10,12H,8-9,11,13H2,1-3H3.
What are the key properties of 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene?
1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene has a molecular weight of 363.30 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[[4-[2-(methoxymethoxy)ethyl]phenyl]methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 59157684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).