2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane

C21H16Cl2O3 — CID 158182917

IUPAC2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane
SMILESCC.O=c1cc2oc3cc(O)c(Cl)cc3c(-c3ccccc3)c-2cc1Cl
InChIInChI=1S/C19H10Cl2O3.C2H6/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10;1-2/h1-9,22H;1-2H3
InChIKeyFYUUSSVWJFKSQM-UHFFFAOYSA-N
MW387.26 g/mol
LogP6.60
Rot. Bonds1

About 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane

2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane (PubChem CID 158182917) has the molecular formula C21H16Cl2O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane.

Molecular Properties

Compound Name2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane
PubChem CID158182917
Molecular FormulaC21H16Cl2O3
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane
SMILESCC.O=c1cc2oc3cc(O)c(Cl)cc3c(-c3ccccc3)c-2cc1Cl
InChIInChI=1S/C19H10Cl2O3.C2H6/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10;1-2/h1-9,22H;1-2H3
InChIKeyFYUUSSVWJFKSQM-UHFFFAOYSA-N
XLogP6.60
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dichloro-6-hydroxy-9-[4-(3-phenylpentanoyl)phenyl]xanthen-3-one
CID 161451367
2,7-dichloro-9-[4-(3,4-dimethylpentanoyl)phenyl]-6-hydroxyxanthen-3-one
CID 158396640
2,7-dichloro-9-[4-[4-(2-chlorophenyl)butanoyl]phenyl]-6-hydroxyxanthen-3-one
CID 157237113
9-[4-[(butan-2-ylamino)-hydroxymethyl]phenyl]-2,7-dichloro-6-hydroxyxanthen-3-one
CID 134197684
4-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-N-(4-phenylbutyl)benzamide
CID 122494201
9-(4-amino-2-methylphenyl)-2,7-dichloro-6-hydroxyxanthen-3-one
CID 142434418
4-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-N,N-dipentylbenzamide
CID 122494149
4-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-N-(4-methylpentan-2-yl)benzamide
CID 122494154
N-cyclopentyl-4-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzamide
CID 122494123
4-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-N-[2-(4-ethylphenyl)ethyl]benzamide
CID 122494170
2-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzene-1,3-dicarboxylic acid;2-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid
CID 70693171
4-acetyl-3,6-dichloro-2-(2-chloro-3-hydroxy-6-oxo-7-phenylxanthen-9-yl)benzoic acid
CID 58460657

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane?
The IUPAC name of 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane (CID 158182917) is 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane.
What is the SMILES notation for 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane?
The canonical SMILES for 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane is CC.O=c1cc2oc3cc(O)c(Cl)cc3c(-c3ccccc3)c-2cc1Cl.
What is the InChIKey of 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane?
The InChIKey is FYUUSSVWJFKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2O3.C2H6/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10;1-2/h1-9,22H;1-2H3.
What are the key properties of 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane?
2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane has a molecular weight of 387.26 g/mol, XLogP of 6.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-6-hydroxy-9-phenylxanthen-3-one;ethane is sourced from PubChem (CID 158182917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).