2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one

C19H18O4 — CID 71347213

IUPAC2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
SMILESCOc1ccc(C2=CC(=O)OC(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C19H18O4/c1-21-16-7-3-13(4-8-16)15-11-18(23-19(20)12-15)14-5-9-17(22-2)10-6-14/h3-10,12,18H,11H2,1-2H3
InChIKeyHPYPPPQFWSSUGW-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.78
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one

2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one (PubChem CID 71347213) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
PubChem CID71347213
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
SMILESCOc1ccc(C2=CC(=O)OC(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C19H18O4/c1-21-16-7-3-13(4-8-16)15-11-18(23-19(20)12-15)14-5-9-17(22-2)10-6-14/h3-10,12,18H,11H2,1-2H3
InChIKeyHPYPPPQFWSSUGW-UHFFFAOYSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one (CID 71347213) is 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one is COc1ccc(C2=CC(=O)OC(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one?
The InChIKey is HPYPPPQFWSSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-16-7-3-13(4-8-16)15-11-18(23-19(20)12-15)14-5-9-17(22-2)10-6-14/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one?
2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one has a molecular weight of 310.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 71347213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).