2,3-dibenzoyl-7-chloroxanthen-9-one

C27H15ClO4 — CID 10646706

IUPAC2,3-dibenzoyl-7-chloroxanthen-9-one
SMILESO=C(c1ccccc1)c1cc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)c1ccccc1
InChIInChI=1S/C27H15ClO4/c28-18-11-12-23-21(13-18)27(31)22-14-19(25(29)16-7-3-1-4-8-16)20(15-24(22)32-23)26(30)17-9-5-2-6-10-17/h1-15H
InChIKeyDYCOLTOIYMAZRO-UHFFFAOYSA-N
MW438.87 g/mol
LogP6.06
Rot. Bonds4

About 2,3-dibenzoyl-7-chloroxanthen-9-one

2,3-dibenzoyl-7-chloroxanthen-9-one (PubChem CID 10646706) has the molecular formula C27H15ClO4 and a molecular weight of 438.87 g/mol. Its IUPAC name is 2,3-dibenzoyl-7-chloroxanthen-9-one.

Molecular Properties

Compound Name2,3-dibenzoyl-7-chloroxanthen-9-one
PubChem CID10646706
Molecular FormulaC27H15ClO4
Molecular Weight438.87 g/mol
Exact Mass438.07
IUPAC Name2,3-dibenzoyl-7-chloroxanthen-9-one
SMILESO=C(c1ccccc1)c1cc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)c1ccccc1
InChIInChI=1S/C27H15ClO4/c28-18-11-12-23-21(13-18)27(31)22-14-19(25(29)16-7-3-1-4-8-16)20(15-24(22)32-23)26(30)17-9-5-2-6-10-17/h1-15H
InChIKeyDYCOLTOIYMAZRO-UHFFFAOYSA-N
XLogP6.06
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.87
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 7-chloro-9-oxoxanthene-2,3-dicarboxylate
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2-benzoyl-5-chlorobenzenesulfonyl chloride
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3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
ethyl (2S)-2-(2-benzoyl-5-chloro-1-benzofuran-3-yl)propanoate
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CID 20561041
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CID 7126144

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzoyl-7-chloroxanthen-9-one?
The IUPAC name of 2,3-dibenzoyl-7-chloroxanthen-9-one (CID 10646706) is 2,3-dibenzoyl-7-chloroxanthen-9-one.
What is the SMILES notation for 2,3-dibenzoyl-7-chloroxanthen-9-one?
The canonical SMILES for 2,3-dibenzoyl-7-chloroxanthen-9-one is O=C(c1ccccc1)c1cc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)c1ccccc1.
What is the InChIKey of 2,3-dibenzoyl-7-chloroxanthen-9-one?
The InChIKey is DYCOLTOIYMAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15ClO4/c28-18-11-12-23-21(13-18)27(31)22-14-19(25(29)16-7-3-1-4-8-16)20(15-24(22)32-23)26(30)17-9-5-2-6-10-17/h1-15H.
What are the key properties of 2,3-dibenzoyl-7-chloroxanthen-9-one?
2,3-dibenzoyl-7-chloroxanthen-9-one has a molecular weight of 438.87 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzoyl-7-chloroxanthen-9-one is sourced from PubChem (CID 10646706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).