1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one

C23H16O3 — CID 69187827

IUPAC1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one
SMILESCc1ccc(C(=O)C=C2c3ccccc3C(=O)c3c(O)cccc32)cc1
InChIInChI=1S/C23H16O3/c1-14-9-11-15(12-10-14)21(25)13-19-16-5-2-3-6-18(16)23(26)22-17(19)7-4-8-20(22)24/h2-13,24H,1H3
InChIKeyKUYNVMAXHWOPGC-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.56
Rot. Bonds2

About 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one

1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one (PubChem CID 69187827) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one.

Molecular Properties

Compound Name1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one
PubChem CID69187827
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one
SMILESCc1ccc(C(=O)C=C2c3ccccc3C(=O)c3c(O)cccc32)cc1
InChIInChI=1S/C23H16O3/c1-14-9-11-15(12-10-14)21(25)13-19-16-5-2-3-6-18(16)23(26)22-17(19)7-4-8-20(22)24/h2-13,24H,1H3
InChIKeyKUYNVMAXHWOPGC-UHFFFAOYSA-N
XLogP4.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
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 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one?
The IUPAC name of 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one (CID 69187827) is 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one.
What is the SMILES notation for 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one?
The canonical SMILES for 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one is Cc1ccc(C(=O)C=C2c3ccccc3C(=O)c3c(O)cccc32)cc1.
What is the InChIKey of 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one?
The InChIKey is KUYNVMAXHWOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O3/c1-14-9-11-15(12-10-14)21(25)13-19-16-5-2-3-6-18(16)23(26)22-17(19)7-4-8-20(22)24/h2-13,24H,1H3.
What are the key properties of 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one?
1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one has a molecular weight of 340.38 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-10-[2-(4-methylphenyl)-2-oxoethylidene]anthracen-9-one is sourced from PubChem (CID 69187827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).