Benzoxanthene anhydride

Name: Benzoxanthene anhydride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₈O₄ — CID 11231535

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

IUPAC8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione

SMILESO=c1oc(=O)c2ccc3c4ccccc4oc4ccc1c2c43

InChIInChI=1S/C18H8O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8H

InChIKeyCMDRTRYVGCWWHS-UHFFFAOYSA-N

MW288.26 g/mol

LogP3.64

Rot. Bonds

About Benzoxanthene anhydride

Benzoxanthene anhydride (PubChem CID 11231535) has the molecular formula C₁₈H₈O₄ and a molecular weight of 288.26 g/mol. Its IUPAC name is 8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione.

Molecular Properties

Compound Name	Benzoxanthene anhydride
PubChem CID	11231535
Molecular Formula	C₁₈H₈O₄
Molecular Weight	288.26 g/mol
Exact Mass	288.04
IUPAC Name	8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
SMILES	O=c1oc(=O)c2ccc3c4ccccc4oc4ccc1c2c43
InChI	InChI=1S/C18H8O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8H
InChIKey	CMDRTRYVGCWWHS-UHFFFAOYSA-N
XLogP	3.64
TPSA	60.42 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.26
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Benzoxanthene anhydride?

The IUPAC name of Benzoxanthene anhydride (CID 11231535) is 8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione.

What is the SMILES notation for Benzoxanthene anhydride?

The canonical SMILES for Benzoxanthene anhydride is O=c1oc(=O)c2ccc3c4ccccc4oc4ccc1c2c43.

What is the InChIKey of Benzoxanthene anhydride?

The InChIKey is CMDRTRYVGCWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8H.

What are the key properties of Benzoxanthene anhydride?

Benzoxanthene anhydride has a molecular weight of 288.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Benzoxanthene anhydride is sourced from PubChem (CID 11231535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 11231535 — identifiers, structure, computed properties (public domain)

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