10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one

C23H18O3 — CID 11002381

IUPAC10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one
SMILESCOc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1
InChIInChI=1S/C23H18O3/c1-25-16-11-15(12-17(14-16)26-2)13-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-14H,1-2H3
InChIKeyXZIBEIAQOUGUNE-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.84
Rot. Bonds3

About 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one

10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one (PubChem CID 11002381) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one
PubChem CID11002381
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one
SMILESCOc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1
InChIInChI=1S/C23H18O3/c1-25-16-11-15(12-17(14-16)26-2)13-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-14H,1-2H3
InChIKeyXZIBEIAQOUGUNE-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one?
The IUPAC name of 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one (CID 11002381) is 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one.
What is the SMILES notation for 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one?
The canonical SMILES for 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one is COc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1.
What is the InChIKey of 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one?
The InChIKey is XZIBEIAQOUGUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-25-16-11-15(12-17(14-16)26-2)13-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-14H,1-2H3.
What are the key properties of 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one?
10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one has a molecular weight of 342.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,5-dimethoxyphenyl)methylidene]anthracen-9-one is sourced from PubChem (CID 11002381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).