10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one

C23H16O3 — CID 23729076

IUPAC10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one
SMILESCOc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H16O3/c1-26-16-12-10-15(11-13-16)22(24)14-21-17-6-2-4-8-19(17)23(25)20-9-5-3-7-18(20)21/h2-14H,1H3
InChIKeyLMXCFZCMNBWAHM-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.55
Rot. Bonds3

About 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one

10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one (PubChem CID 23729076) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one
PubChem CID23729076
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one
SMILESCOc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H16O3/c1-26-16-12-10-15(11-13-16)22(24)14-21-17-6-2-4-8-19(17)23(25)20-9-5-3-7-18(20)21/h2-14H,1H3
InChIKeyLMXCFZCMNBWAHM-UHFFFAOYSA-N
XLogP4.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one?
The IUPAC name of 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one (CID 23729076) is 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one.
What is the SMILES notation for 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one?
The canonical SMILES for 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one is COc1ccc(C(=O)C=C2c3ccccc3C(=O)c3ccccc32)cc1.
What is the InChIKey of 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one?
The InChIKey is LMXCFZCMNBWAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O3/c1-26-16-12-10-15(11-13-16)22(24)14-21-17-6-2-4-8-19(17)23(25)20-9-5-3-7-18(20)21/h2-14H,1H3.
What are the key properties of 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one?
10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one has a molecular weight of 340.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-methoxyphenyl)-2-oxoethylidene]anthracen-9-one is sourced from PubChem (CID 23729076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).