3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one

C32H26O4 — CID 14435077

IUPAC3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1C(c1ccccc1)C(c1ccccc1)C1COc2ccccc2C1=O
InChIInChI=1S/C32H26O4/c33-31-23-15-7-9-17-27(23)35-19-25(31)29(21-11-3-1-4-12-21)30(22-13-5-2-6-14-22)26-20-36-28-18-10-8-16-24(28)32(26)34/h1-18,25-26,29-30H,19-20H2
InChIKeyDITZQWOSSSOYIP-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.34
Rot. Bonds5

About 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one

3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one (PubChem CID 14435077) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one
PubChem CID14435077
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1C(c1ccccc1)C(c1ccccc1)C1COc2ccccc2C1=O
InChIInChI=1S/C32H26O4/c33-31-23-15-7-9-17-27(23)35-19-25(31)29(21-11-3-1-4-12-21)30(22-13-5-2-6-14-22)26-20-36-28-18-10-8-16-24(28)32(26)34/h1-18,25-26,29-30H,19-20H2
InChIKeyDITZQWOSSSOYIP-UHFFFAOYSA-N
XLogP6.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one (CID 14435077) is 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1C(c1ccccc1)C(c1ccccc1)C1COc2ccccc2C1=O.
What is the InChIKey of 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one?
The InChIKey is DITZQWOSSSOYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O4/c33-31-23-15-7-9-17-27(23)35-19-25(31)29(21-11-3-1-4-12-21)30(22-13-5-2-6-14-22)26-20-36-28-18-10-8-16-24(28)32(26)34/h1-18,25-26,29-30H,19-20H2.
What are the key properties of 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one?
3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one has a molecular weight of 474.56 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14435077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).