1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione

Name: 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₉NO₃ — CID 155926240

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione

SMILESO=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12

InChIInChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2

InChIKeyCTZDUEYGPXHGCI-UHFFFAOYSA-N

MW357.41 g/mol

LogP4.18

Rot. Bonds5

About 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione

1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione (PubChem CID 155926240) has the molecular formula C₂₃H₁₉NO₃ and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name	1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione
PubChem CID	155926240
Molecular Formula	C₂₃H₁₉NO₃
Molecular Weight	357.41 g/mol
Exact Mass	357.14
IUPAC Name	1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione
SMILES	O=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12
InChI	InChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2
InChIKey	CTZDUEYGPXHGCI-UHFFFAOYSA-N
XLogP	4.18
TPSA	52.21 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?

The IUPAC name of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione (CID 155926240) is 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione.

What is the SMILES notation for 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?

The canonical SMILES for 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12.

What is the InChIKey of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?

The InChIKey is CTZDUEYGPXHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2.

What are the key properties of 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione?

1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-diphenylpropyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 155926240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155926240 — identifiers, structure, computed properties (public domain)

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