(2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

C32H28O4 — CID 171344123

IUPAC(2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESO=C(CCc1ccccc1)C[C@H]1C[C@H](c2ccccc2)c2c(cc(/C=C/c3ccccc3)oc2=O)O1
InChIInChI=1S/C32H28O4/c33-26(18-16-23-10-4-1-5-11-23)20-28-21-29(25-14-8-3-9-15-25)31-30(35-28)22-27(36-32(31)34)19-17-24-12-6-2-7-13-24/h1-15,17,19,22,28-29H,16,18,20-21H2/b19-17+/t28-,29+/m0/s1
InChIKeyIAIGBNIWSBFKNA-OQYGYJIPSA-N
MW476.57 g/mol
LogP6.69
Rot. Bonds8

About (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

(2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 171344123) has the molecular formula C32H28O4 and a molecular weight of 476.57 g/mol. Its IUPAC name is (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name(2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID171344123
Molecular FormulaC32H28O4
Molecular Weight476.57 g/mol
Exact Mass476.20
IUPAC Name(2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESO=C(CCc1ccccc1)C[C@H]1C[C@H](c2ccccc2)c2c(cc(/C=C/c3ccccc3)oc2=O)O1
InChIInChI=1S/C32H28O4/c33-26(18-16-23-10-4-1-5-11-23)20-28-21-29(25-14-8-3-9-15-25)31-30(35-28)22-27(36-32(31)34)19-17-24-12-6-2-7-13-24/h1-15,17,19,22,28-29H,16,18,20-21H2/b19-17+/t28-,29+/m0/s1
InChIKeyIAIGBNIWSBFKNA-OQYGYJIPSA-N
XLogP6.69
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 171344123) is (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is O=C(CCc1ccccc1)C[C@H]1C[C@H](c2ccccc2)c2c(cc(/C=C/c3ccccc3)oc2=O)O1.
What is the InChIKey of (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is IAIGBNIWSBFKNA-OQYGYJIPSA-N. The full InChI is InChI=1S/C32H28O4/c33-26(18-16-23-10-4-1-5-11-23)20-28-21-29(25-14-8-3-9-15-25)31-30(35-28)22-27(36-32(31)34)19-17-24-12-6-2-7-13-24/h1-15,17,19,22,28-29H,16,18,20-21H2/b19-17+/t28-,29+/m0/s1.
What are the key properties of (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
(2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 476.57 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 171344123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).