1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene

C19H23BrO2 — CID 139965087

IUPAC1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(C(C)(C)C)c(C)cc1-c1ccccc1Br
InChIInChI=1S/C19H23BrO2/c1-13-10-15(14-8-6-7-9-17(14)20)18(22-12-21-5)11-16(13)19(2,3)4/h6-11H,12H2,1-5H3
InChIKeyQRMYHTLRLHOZAQ-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.70
Rot. Bonds4

About 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene

1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene (PubChem CID 139965087) has the molecular formula C19H23BrO2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene
PubChem CID139965087
Molecular FormulaC19H23BrO2
Molecular Weight363.30 g/mol
Exact Mass362.09
IUPAC Name1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(C(C)(C)C)c(C)cc1-c1ccccc1Br
InChIInChI=1S/C19H23BrO2/c1-13-10-15(14-8-6-7-9-17(14)20)18(22-12-21-5)11-16(13)19(2,3)4/h6-11H,12H2,1-5H3
InChIKeyQRMYHTLRLHOZAQ-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene?
The IUPAC name of 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene (CID 139965087) is 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene.
What is the SMILES notation for 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene?
The canonical SMILES for 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene is COCOc1cc(C(C)(C)C)c(C)cc1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene?
The InChIKey is QRMYHTLRLHOZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO2/c1-13-10-15(14-8-6-7-9-17(14)20)18(22-12-21-5)11-16(13)19(2,3)4/h6-11H,12H2,1-5H3.
What are the key properties of 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene?
1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene has a molecular weight of 363.30 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-tert-butyl-2-(methoxymethoxy)-5-methylbenzene is sourced from PubChem (CID 139965087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).