9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene

C32H28Br2O4 — CID 132511511

IUPAC9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene
SMILESCOCCOc1ccc(Br)cc1-c1c2ccccc2c(-c2cc(Br)ccc2OCCOC)c2ccccc12
InChIInChI=1S/C32H28Br2O4/c1-35-15-17-37-29-13-11-21(33)19-27(29)31-23-7-3-5-9-25(23)32(26-10-6-4-8-24(26)31)28-20-22(34)12-14-30(28)38-18-16-36-2/h3-14,19-20H,15-18H2,1-2H3
InChIKeyMIXYMRRBWGUMAE-UHFFFAOYSA-N
MW636.38 g/mol
LogP8.90
Rot. Bonds10

About 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene

9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene (PubChem CID 132511511) has the molecular formula C32H28Br2O4 and a molecular weight of 636.38 g/mol. Its IUPAC name is 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene
PubChem CID132511511
Molecular FormulaC32H28Br2O4
Molecular Weight636.38 g/mol
Exact Mass634.04
IUPAC Name9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene
SMILESCOCCOc1ccc(Br)cc1-c1c2ccccc2c(-c2cc(Br)ccc2OCCOC)c2ccccc12
InChIInChI=1S/C32H28Br2O4/c1-35-15-17-37-29-13-11-21(33)19-27(29)31-23-7-3-5-9-25(23)32(26-10-6-4-8-24(26)31)28-20-22(34)12-14-30(28)38-18-16-36-2/h3-14,19-20H,15-18H2,1-2H3
InChIKeyMIXYMRRBWGUMAE-UHFFFAOYSA-N
XLogP8.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.38
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
CID 43141619
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158
6-bromo-1-chloro-2-(2-methoxyethoxy)naphthalene
CID 139902326
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
3,5-bis[10-[2,4-bis(2-methoxyethoxy)-5-(10-pyridin-3-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 132565140
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene?
The IUPAC name of 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene (CID 132511511) is 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene?
The canonical SMILES for 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene is COCCOc1ccc(Br)cc1-c1c2ccccc2c(-c2cc(Br)ccc2OCCOC)c2ccccc12.
What is the InChIKey of 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene?
The InChIKey is MIXYMRRBWGUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Br2O4/c1-35-15-17-37-29-13-11-21(33)19-27(29)31-23-7-3-5-9-25(23)32(26-10-6-4-8-24(26)31)28-20-22(34)12-14-30(28)38-18-16-36-2/h3-14,19-20H,15-18H2,1-2H3.
What are the key properties of 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene?
9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene has a molecular weight of 636.38 g/mol, XLogP of 8.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[5-bromo-2-(2-methoxyethoxy)phenyl]anthracene is sourced from PubChem (CID 132511511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).