3-(2-methoxyphenyl)benzo[f]chromen-1-one

C20H14O3 — CID 688681

IUPAC3-(2-methoxyphenyl)benzo[f]chromen-1-one
SMILESCOc1ccccc1-c1cc(=O)c2c(ccc3ccccc32)o1
InChIInChI=1S/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
InChIKeyPCTZJHHURYBJOH-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.62
Rot. Bonds2

About 3-(2-methoxyphenyl)benzo[f]chromen-1-one

3-(2-methoxyphenyl)benzo[f]chromen-1-one (PubChem CID 688681) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)benzo[f]chromen-1-one
PubChem CID688681
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name3-(2-methoxyphenyl)benzo[f]chromen-1-one
SMILESCOc1ccccc1-c1cc(=O)c2c(ccc3ccccc32)o1
InChIInChI=1S/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
InChIKeyPCTZJHHURYBJOH-UHFFFAOYSA-N
XLogP4.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-methoxyphenyl)benzo[f]chromen-1-one?
The IUPAC name of 3-(2-methoxyphenyl)benzo[f]chromen-1-one (CID 688681) is 3-(2-methoxyphenyl)benzo[f]chromen-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)benzo[f]chromen-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)benzo[f]chromen-1-one is COc1ccccc1-c1cc(=O)c2c(ccc3ccccc32)o1.
What is the InChIKey of 3-(2-methoxyphenyl)benzo[f]chromen-1-one?
The InChIKey is PCTZJHHURYBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3.
What are the key properties of 3-(2-methoxyphenyl)benzo[f]chromen-1-one?
3-(2-methoxyphenyl)benzo[f]chromen-1-one has a molecular weight of 302.33 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)benzo[f]chromen-1-one is sourced from PubChem (CID 688681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).