6-hydroxy-9-(2-methylphenyl)xanthen-3-one

C20H14O3 — CID 25033550

IUPAC6-hydroxy-9-(2-methylphenyl)xanthen-3-one
SMILESCc1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChIInChI=1S/C20H14O3/c1-12-4-2-3-5-15(12)20-16-8-6-13(21)10-18(16)23-19-11-14(22)7-9-17(19)20/h2-11,21H,1H3
InChIKeyKTWLSQSSXLUFNL-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.58
Rot. Bonds1

About 6-hydroxy-9-(2-methylphenyl)xanthen-3-one

6-hydroxy-9-(2-methylphenyl)xanthen-3-one (PubChem CID 25033550) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-hydroxy-9-(2-methylphenyl)xanthen-3-one.

Molecular Properties

Compound Name6-hydroxy-9-(2-methylphenyl)xanthen-3-one
PubChem CID25033550
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name6-hydroxy-9-(2-methylphenyl)xanthen-3-one
SMILESCc1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChIInChI=1S/C20H14O3/c1-12-4-2-3-5-15(12)20-16-8-6-13(21)10-18(16)23-19-11-14(22)7-9-17(19)20/h2-11,21H,1H3
InChIKeyKTWLSQSSXLUFNL-UHFFFAOYSA-N
XLogP4.58
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-(2-methylphenyl)xanthen-3-one?
The IUPAC name of 6-hydroxy-9-(2-methylphenyl)xanthen-3-one (CID 25033550) is 6-hydroxy-9-(2-methylphenyl)xanthen-3-one.
What is the SMILES notation for 6-hydroxy-9-(2-methylphenyl)xanthen-3-one?
The canonical SMILES for 6-hydroxy-9-(2-methylphenyl)xanthen-3-one is Cc1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-9-(2-methylphenyl)xanthen-3-one?
The InChIKey is KTWLSQSSXLUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-12-4-2-3-5-15(12)20-16-8-6-13(21)10-18(16)23-19-11-14(22)7-9-17(19)20/h2-11,21H,1H3.
What are the key properties of 6-hydroxy-9-(2-methylphenyl)xanthen-3-one?
6-hydroxy-9-(2-methylphenyl)xanthen-3-one has a molecular weight of 302.33 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-(2-methylphenyl)xanthen-3-one is sourced from PubChem (CID 25033550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).