(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone

C26H20O3 — CID 70620742

IUPAC(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)C1(c2ccccc2)COC(c2ccccc2)O1
InChIInChI=1S/C26H20O3/c27-24(23-17-9-13-19-10-7-8-16-22(19)23)26(21-14-5-2-6-15-21)18-28-25(29-26)20-11-3-1-4-12-20/h1-17,25H,18H2
InChIKeySLPKOBSTUNGJBA-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.66
Rot. Bonds4

About (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone

(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone (PubChem CID 70620742) has the molecular formula C26H20O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone
PubChem CID70620742
Molecular FormulaC26H20O3
Molecular Weight380.44 g/mol
Exact Mass380.14
IUPAC Name(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)C1(c2ccccc2)COC(c2ccccc2)O1
InChIInChI=1S/C26H20O3/c27-24(23-17-9-13-19-10-7-8-16-22(19)23)26(21-14-5-2-6-15-21)18-28-25(29-26)20-11-3-1-4-12-20/h1-17,25H,18H2
InChIKeySLPKOBSTUNGJBA-UHFFFAOYSA-N
XLogP5.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone (CID 70620742) is (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)C1(c2ccccc2)COC(c2ccccc2)O1.
What is the InChIKey of (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone?
The InChIKey is SLPKOBSTUNGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3/c27-24(23-17-9-13-19-10-7-8-16-22(19)23)26(21-14-5-2-6-15-21)18-28-25(29-26)20-11-3-1-4-12-20/h1-17,25H,18H2.
What are the key properties of (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone?
(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone has a molecular weight of 380.44 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 70620742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).