4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one

C28H22O3 — CID 54721651

IUPAC4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Cc1cccc2ccccc12
InChIInChI=1S/C28H22O3/c29-26-19-28(22-13-3-1-4-14-22,23-15-5-2-6-16-23)31-27(30)25(26)18-21-12-9-11-20-10-7-8-17-24(20)21/h1-17,29H,18-19H2
InChIKeyFVZRUHGYAWWNNX-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.09
Rot. Bonds4

About 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one

4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one (PubChem CID 54721651) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one
PubChem CID54721651
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Cc1cccc2ccccc12
InChIInChI=1S/C28H22O3/c29-26-19-28(22-13-3-1-4-14-22,23-15-5-2-6-16-23)31-27(30)25(26)18-21-12-9-11-20-10-7-8-17-24(20)21/h1-17,29H,18-19H2
InChIKeyFVZRUHGYAWWNNX-UHFFFAOYSA-N
XLogP6.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one (CID 54721651) is 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one is O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Cc1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one?
The InChIKey is FVZRUHGYAWWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c29-26-19-28(22-13-3-1-4-14-22,23-15-5-2-6-16-23)31-27(30)25(26)18-21-12-9-11-20-10-7-8-17-24(20)21/h1-17,29H,18-19H2.
What are the key properties of 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one?
4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one has a molecular weight of 406.48 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one is sourced from PubChem (CID 54721651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).