3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one

C23H20O2 — CID 71420550

IUPAC3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one
SMILESCC1(C)C(=O)OC(c2ccccc2)=CC1c1cccc2ccccc12
InChIInChI=1S/C23H20O2/c1-23(2)20(19-14-8-12-16-9-6-7-13-18(16)19)15-21(25-22(23)24)17-10-4-3-5-11-17/h3-15,20H,1-2H3
InChIKeyCCJIPLGBXLQLNU-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.55
Rot. Bonds2

About 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one

3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one (PubChem CID 71420550) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one
PubChem CID71420550
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one
SMILESCC1(C)C(=O)OC(c2ccccc2)=CC1c1cccc2ccccc12
InChIInChI=1S/C23H20O2/c1-23(2)20(19-14-8-12-16-9-6-7-13-18(16)19)15-21(25-22(23)24)17-10-4-3-5-11-17/h3-15,20H,1-2H3
InChIKeyCCJIPLGBXLQLNU-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one?
The IUPAC name of 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one (CID 71420550) is 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one.
What is the SMILES notation for 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one?
The canonical SMILES for 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one is CC1(C)C(=O)OC(c2ccccc2)=CC1c1cccc2ccccc12.
What is the InChIKey of 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one?
The InChIKey is CCJIPLGBXLQLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-23(2)20(19-14-8-12-16-9-6-7-13-18(16)19)15-21(25-22(23)24)17-10-4-3-5-11-17/h3-15,20H,1-2H3.
What are the key properties of 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one?
3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one has a molecular weight of 328.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-naphthalen-1-yl-6-phenyl-4H-pyran-2-one is sourced from PubChem (CID 71420550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).