10-[(4-ethoxyphenyl)methylidene]anthracen-9-one

C23H18O2 — CID 4076268

IUPAC10-[(4-ethoxyphenyl)methylidene]anthracen-9-one
SMILESCCOc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H18O2/c1-2-25-17-13-11-16(12-14-17)15-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-15H,2H2,1H3
InChIKeyXLJUBHLUQKVFTI-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.22
Rot. Bonds3

About 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one

10-[(4-ethoxyphenyl)methylidene]anthracen-9-one (PubChem CID 4076268) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[(4-ethoxyphenyl)methylidene]anthracen-9-one
PubChem CID4076268
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name10-[(4-ethoxyphenyl)methylidene]anthracen-9-one
SMILESCCOc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H18O2/c1-2-25-17-13-11-16(12-14-17)15-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-15H,2H2,1H3
InChIKeyXLJUBHLUQKVFTI-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-ethoxyphenyl)methylidene]anthracen-9-one?
The IUPAC name of 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one (CID 4076268) is 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one.
What is the SMILES notation for 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one?
The canonical SMILES for 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one is CCOc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1.
What is the InChIKey of 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one?
The InChIKey is XLJUBHLUQKVFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-2-25-17-13-11-16(12-14-17)15-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-15H,2H2,1H3.
What are the key properties of 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one?
10-[(4-ethoxyphenyl)methylidene]anthracen-9-one has a molecular weight of 326.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-ethoxyphenyl)methylidene]anthracen-9-one is sourced from PubChem (CID 4076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).