2-(4-butoxyphenyl)-6-methoxychromen-4-one

C20H20O4 — CID 132609984

IUPAC2-(4-butoxyphenyl)-6-methoxychromen-4-one
SMILESCCCCOc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1
InChIInChI=1S/C20H20O4/c1-3-4-11-23-15-7-5-14(6-8-15)20-13-18(21)17-12-16(22-2)9-10-19(17)24-20/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyXDDOUJVPJMGDDO-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.65
Rot. Bonds6

About 2-(4-butoxyphenyl)-6-methoxychromen-4-one

2-(4-butoxyphenyl)-6-methoxychromen-4-one (PubChem CID 132609984) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-6-methoxychromen-4-one
PubChem CID132609984
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(4-butoxyphenyl)-6-methoxychromen-4-one
SMILESCCCCOc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1
InChIInChI=1S/C20H20O4/c1-3-4-11-23-15-7-5-14(6-8-15)20-13-18(21)17-12-16(22-2)9-10-19(17)24-20/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyXDDOUJVPJMGDDO-UHFFFAOYSA-N
XLogP4.65
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-6-methoxychromen-4-one?
The IUPAC name of 2-(4-butoxyphenyl)-6-methoxychromen-4-one (CID 132609984) is 2-(4-butoxyphenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 2-(4-butoxyphenyl)-6-methoxychromen-4-one?
The canonical SMILES for 2-(4-butoxyphenyl)-6-methoxychromen-4-one is CCCCOc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-6-methoxychromen-4-one?
The InChIKey is XDDOUJVPJMGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-3-4-11-23-15-7-5-14(6-8-15)20-13-18(21)17-12-16(22-2)9-10-19(17)24-20/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-6-methoxychromen-4-one?
2-(4-butoxyphenyl)-6-methoxychromen-4-one has a molecular weight of 324.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 132609984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).