9,10-bis(2-methoxyphenyl)anthracene

C28H22O2 — CID 633718

IUPAC9,10-bis(2-methoxyphenyl)anthracene
SMILESCOc1ccccc1-c1c2ccccc2c(-c2ccccc2OC)c2ccccc12
InChIInChI=1S/C28H22O2/c1-29-25-17-9-7-15-23(25)27-19-11-3-5-13-21(19)28(22-14-6-4-12-20(22)27)24-16-8-10-18-26(24)30-2/h3-18H,1-2H3
InChIKeyJKRXZXIGRVPSCA-UHFFFAOYSA-N
MW390.48 g/mol
LogP7.34
Rot. Bonds4

About 9,10-bis(2-methoxyphenyl)anthracene

9,10-bis(2-methoxyphenyl)anthracene (PubChem CID 633718) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 9,10-bis(2-methoxyphenyl)anthracene.

Molecular Properties

Compound Name9,10-bis(2-methoxyphenyl)anthracene
PubChem CID633718
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name9,10-bis(2-methoxyphenyl)anthracene
SMILESCOc1ccccc1-c1c2ccccc2c(-c2ccccc2OC)c2ccccc12
InChIInChI=1S/C28H22O2/c1-29-25-17-9-7-15-23(25)27-19-11-3-5-13-21(19)28(22-14-6-4-12-20(22)27)24-16-8-10-18-26(24)30-2/h3-18H,1-2H3
InChIKeyJKRXZXIGRVPSCA-UHFFFAOYSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.34
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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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-methoxyphenyl)anthracene?
The IUPAC name of 9,10-bis(2-methoxyphenyl)anthracene (CID 633718) is 9,10-bis(2-methoxyphenyl)anthracene.
What is the SMILES notation for 9,10-bis(2-methoxyphenyl)anthracene?
The canonical SMILES for 9,10-bis(2-methoxyphenyl)anthracene is COc1ccccc1-c1c2ccccc2c(-c2ccccc2OC)c2ccccc12.
What is the InChIKey of 9,10-bis(2-methoxyphenyl)anthracene?
The InChIKey is JKRXZXIGRVPSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-29-25-17-9-7-15-23(25)27-19-11-3-5-13-21(19)28(22-14-6-4-12-20(22)27)24-16-8-10-18-26(24)30-2/h3-18H,1-2H3.
What are the key properties of 9,10-bis(2-methoxyphenyl)anthracene?
9,10-bis(2-methoxyphenyl)anthracene has a molecular weight of 390.48 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-methoxyphenyl)anthracene is sourced from PubChem (CID 633718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).