2-(4-methylphenyl)benzo[h]chromen-4-one

C20H14O2 — CID 1306582

IUPAC2-(4-methylphenyl)benzo[h]chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1
InChIInChI=1S/C20H14O2/c1-13-6-8-15(9-7-13)19-12-18(21)17-11-10-14-4-2-3-5-16(14)20(17)22-19/h2-12H,1H3
InChIKeyAVCQGCNOJZYRJO-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.92
Rot. Bonds1

About 2-(4-methylphenyl)benzo[h]chromen-4-one

2-(4-methylphenyl)benzo[h]chromen-4-one (PubChem CID 1306582) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)benzo[h]chromen-4-one
PubChem CID1306582
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name2-(4-methylphenyl)benzo[h]chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1
InChIInChI=1S/C20H14O2/c1-13-6-8-15(9-7-13)19-12-18(21)17-11-10-14-4-2-3-5-16(14)20(17)22-19/h2-12H,1H3
InChIKeyAVCQGCNOJZYRJO-UHFFFAOYSA-N
XLogP4.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(4-methylphenyl)benzo[h]chromen-4-one (CID 1306582) is 2-(4-methylphenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(4-methylphenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(4-methylphenyl)benzo[h]chromen-4-one is Cc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)benzo[h]chromen-4-one?
The InChIKey is AVCQGCNOJZYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c1-13-6-8-15(9-7-13)19-12-18(21)17-11-10-14-4-2-3-5-16(14)20(17)22-19/h2-12H,1H3.
What are the key properties of 2-(4-methylphenyl)benzo[h]chromen-4-one?
2-(4-methylphenyl)benzo[h]chromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 1306582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).