9-(4-bromophenyl)-10-methoxyanthracene

C21H15BrO — CID 178067918

IUPAC9-(4-bromophenyl)-10-methoxyanthracene
SMILESCOc1c2ccccc2c(-c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C21H15BrO/c1-23-21-18-8-4-2-6-16(18)20(14-10-12-15(22)13-11-14)17-7-3-5-9-19(17)21/h2-13H,1H3
InChIKeyMLVXDZLTHLOMMY-UHFFFAOYSA-N
MW363.25 g/mol
LogP6.43
Rot. Bonds2

About 9-(4-bromophenyl)-10-methoxyanthracene

9-(4-bromophenyl)-10-methoxyanthracene (PubChem CID 178067918) has the molecular formula C21H15BrO and a molecular weight of 363.25 g/mol. Its IUPAC name is 9-(4-bromophenyl)-10-methoxyanthracene.

Molecular Properties

Compound Name9-(4-bromophenyl)-10-methoxyanthracene
PubChem CID178067918
Molecular FormulaC21H15BrO
Molecular Weight363.25 g/mol
Exact Mass362.03
IUPAC Name9-(4-bromophenyl)-10-methoxyanthracene
SMILESCOc1c2ccccc2c(-c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C21H15BrO/c1-23-21-18-8-4-2-6-16(18)20(14-10-12-15(22)13-11-14)17-7-3-5-9-19(17)21/h2-13H,1H3
InChIKeyMLVXDZLTHLOMMY-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
CID 141476648
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
CID 142438214
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
1-(4-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
3-(4-bromophenyl)-2,4-dimethoxyaniline
CID 174856580
2-bromo-9,10-diphenylanthracene
CID 22247163
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
4-(4-bromophenyl)-3-chloro-2-methylnaphthalen-1-ol
CID 86185452

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-10-methoxyanthracene?
The IUPAC name of 9-(4-bromophenyl)-10-methoxyanthracene (CID 178067918) is 9-(4-bromophenyl)-10-methoxyanthracene.
What is the SMILES notation for 9-(4-bromophenyl)-10-methoxyanthracene?
The canonical SMILES for 9-(4-bromophenyl)-10-methoxyanthracene is COc1c2ccccc2c(-c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 9-(4-bromophenyl)-10-methoxyanthracene?
The InChIKey is MLVXDZLTHLOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO/c1-23-21-18-8-4-2-6-16(18)20(14-10-12-15(22)13-11-14)17-7-3-5-9-19(17)21/h2-13H,1H3.
What are the key properties of 9-(4-bromophenyl)-10-methoxyanthracene?
9-(4-bromophenyl)-10-methoxyanthracene has a molecular weight of 363.25 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-10-methoxyanthracene is sourced from PubChem (CID 178067918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).