10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one

C24H18O4 — CID 24815750

IUPAC10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one
SMILESCOc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1OC
InChIInChI=1S/C24H18O4/c1-27-22-12-11-15(13-23(22)28-2)21(25)14-20-16-7-3-5-9-18(16)24(26)19-10-6-4-8-17(19)20/h3-14H,1-2H3
InChIKeyOUWLSYCDQQYDBG-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.56
Rot. Bonds4

About 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one

10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one (PubChem CID 24815750) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one
PubChem CID24815750
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one
SMILESCOc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1OC
InChIInChI=1S/C24H18O4/c1-27-22-12-11-15(13-23(22)28-2)21(25)14-20-16-7-3-5-9-18(16)24(26)19-10-6-4-8-17(19)20/h3-14H,1-2H3
InChIKeyOUWLSYCDQQYDBG-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one?
The IUPAC name of 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one (CID 24815750) is 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one.
What is the SMILES notation for 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one?
The canonical SMILES for 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one is COc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1OC.
What is the InChIKey of 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one?
The InChIKey is OUWLSYCDQQYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-27-22-12-11-15(13-23(22)28-2)21(25)14-20-16-7-3-5-9-18(16)24(26)19-10-6-4-8-17(19)20/h3-14H,1-2H3.
What are the key properties of 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one?
10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one has a molecular weight of 370.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]anthracen-9-one is sourced from PubChem (CID 24815750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).