2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene

C30H25BrO2 — CID 160603316

IUPAC2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene
SMILESCc1ccc(COc2c3ccccc3c(OCc3ccc(C)cc3)c3cc(Br)ccc23)cc1
InChIInChI=1S/C30H25BrO2/c1-20-7-11-22(12-8-20)18-32-29-25-5-3-4-6-26(25)30(28-17-24(31)15-16-27(28)29)33-19-23-13-9-21(2)10-14-23/h3-17H,18-19H2,1-2H3
InChIKeyREOCXUVBKMCURF-UHFFFAOYSA-N
MW497.43 g/mol
LogP8.53
Rot. Bonds6

About 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene

2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene (PubChem CID 160603316) has the molecular formula C30H25BrO2 and a molecular weight of 497.43 g/mol. Its IUPAC name is 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene.

Molecular Properties

Compound Name2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene
PubChem CID160603316
Molecular FormulaC30H25BrO2
Molecular Weight497.43 g/mol
Exact Mass496.10
IUPAC Name2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene
SMILESCc1ccc(COc2c3ccccc3c(OCc3ccc(C)cc3)c3cc(Br)ccc23)cc1
InChIInChI=1S/C30H25BrO2/c1-20-7-11-22(12-8-20)18-32-29-25-5-3-4-6-26(25)30(28-17-24(31)15-16-27(28)29)33-19-23-13-9-21(2)10-14-23/h3-17H,18-19H2,1-2H3
InChIKeyREOCXUVBKMCURF-UHFFFAOYSA-N
XLogP8.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
CID 158794171
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
N-[[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126123365
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 17055251
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene?
The IUPAC name of 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene (CID 160603316) is 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene.
What is the SMILES notation for 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene?
The canonical SMILES for 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene is Cc1ccc(COc2c3ccccc3c(OCc3ccc(C)cc3)c3cc(Br)ccc23)cc1.
What is the InChIKey of 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene?
The InChIKey is REOCXUVBKMCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25BrO2/c1-20-7-11-22(12-8-20)18-32-29-25-5-3-4-6-26(25)30(28-17-24(31)15-16-27(28)29)33-19-23-13-9-21(2)10-14-23/h3-17H,18-19H2,1-2H3.
What are the key properties of 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene?
2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene has a molecular weight of 497.43 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene is sourced from PubChem (CID 160603316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).