2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene

C24H33BrO2 — CID 175897482

IUPAC2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene
SMILESCCC(C)(C)c1cc(-c2ccccc2)c(OCOC)c(C(C)(C)CC)c1Br
InChIInChI=1S/C24H33BrO2/c1-8-23(3,4)19-15-18(17-13-11-10-12-14-17)22(27-16-26-7)20(21(19)25)24(5,6)9-2/h10-15H,8-9,16H2,1-7H3
InChIKeyUWSDXXAXPWMSLH-UHFFFAOYSA-N
MW433.43 g/mol
LogP7.47
Rot. Bonds8

About 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene

2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene (PubChem CID 175897482) has the molecular formula C24H33BrO2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene.

Molecular Properties

Compound Name2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene
PubChem CID175897482
Molecular FormulaC24H33BrO2
Molecular Weight433.43 g/mol
Exact Mass432.17
IUPAC Name2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene
SMILESCCC(C)(C)c1cc(-c2ccccc2)c(OCOC)c(C(C)(C)CC)c1Br
InChIInChI=1S/C24H33BrO2/c1-8-23(3,4)19-15-18(17-13-11-10-12-14-17)22(27-16-26-7)20(21(19)25)24(5,6)9-2/h10-15H,8-9,16H2,1-7H3
InChIKeyUWSDXXAXPWMSLH-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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Related Compounds

2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol
CID 21459645
1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249
5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine
CID 167209121
1-bromo-5-tert-butyl-2-(methoxymethoxy)-3-(4-propan-2-ylphenyl)benzene
CID 175988120
9,10-bis(methoxymethoxy)anthracene
CID 150706504
2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene
CID 23538777
3-bromo-2-(2-methoxyethyl)-1-(methoxymethoxy)-4-phenylbenzene
CID 175245335
2-[2,3-bis(2-methylbutan-2-yl)phenoxy]ethanol
CID 71404212
1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
CID 135381311
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
2-[4-[3-(2-hydroxyethyl)-2-(methoxymethoxy)-6-phenylnaphthalen-1-yl]-3-(methoxymethoxy)-7-phenylnaphthalen-2-yl]ethanol
CID 10722477
2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene
CID 139915382

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene?
The IUPAC name of 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene (CID 175897482) is 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene.
What is the SMILES notation for 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene?
The canonical SMILES for 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene is CCC(C)(C)c1cc(-c2ccccc2)c(OCOC)c(C(C)(C)CC)c1Br.
What is the InChIKey of 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene?
The InChIKey is UWSDXXAXPWMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrO2/c1-8-23(3,4)19-15-18(17-13-11-10-12-14-17)22(27-16-26-7)20(21(19)25)24(5,6)9-2/h10-15H,8-9,16H2,1-7H3.
What are the key properties of 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene?
2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene 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 2-bromo-4-(methoxymethoxy)-1,3-bis(2-methylbutan-2-yl)-5-phenylbenzene is sourced from PubChem (CID 175897482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).