1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene

C24H33BrO2 — CID 154622816

IUPAC1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(-c2ccccc2Br)c(OCOC)c(C(C)(C)CC)c1
InChIInChI=1S/C24H33BrO2/c1-8-23(3,4)17-14-19(18-12-10-11-13-21(18)25)22(27-16-26-7)20(15-17)24(5,6)9-2/h10-15H,8-9,16H2,1-7H3
InChIKeyHDGCQWWFASEHSB-UHFFFAOYSA-N
MW433.43 g/mol
LogP7.47
Rot. Bonds8

About 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene

1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene (PubChem CID 154622816) has the molecular formula C24H33BrO2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene
PubChem CID154622816
Molecular FormulaC24H33BrO2
Molecular Weight433.43 g/mol
Exact Mass432.17
IUPAC Name1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(-c2ccccc2Br)c(OCOC)c(C(C)(C)CC)c1
InChIInChI=1S/C24H33BrO2/c1-8-23(3,4)17-14-19(18-12-10-11-13-21(18)25)22(27-16-26-7)20(15-17)24(5,6)9-2/h10-15H,8-9,16H2,1-7H3
InChIKeyHDGCQWWFASEHSB-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 57.47
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)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene (CID 154622816) is 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene is CCC(C)(C)c1cc(-c2ccccc2Br)c(OCOC)c(C(C)(C)CC)c1.
What is the InChIKey of 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene?
The InChIKey is HDGCQWWFASEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrO2/c1-8-23(3,4)17-14-19(18-12-10-11-13-21(18)25)22(27-16-26-7)20(15-17)24(5,6)9-2/h10-15H,8-9,16H2,1-7H3.
What are the key properties of 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene?
1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene has a molecular weight of 433.43 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(methoxymethoxy)-3,5-bis(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 154622816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).