methyl 9H-xanthene-9-carboxylate

C15H12O3 — CID 699662

IUPACmethyl 9H-xanthene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3
InChIKeyRFHABUQANXJNQS-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.10
Rot. Bonds1

About methyl 9H-xanthene-9-carboxylate

methyl 9H-xanthene-9-carboxylate (PubChem CID 699662) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Namemethyl 9H-xanthene-9-carboxylate
PubChem CID699662
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namemethyl 9H-xanthene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3
InChIKeyRFHABUQANXJNQS-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9H-xanthene-9-carboxylate?
The IUPAC name of methyl 9H-xanthene-9-carboxylate (CID 699662) is methyl 9H-xanthene-9-carboxylate.
What is the SMILES notation for methyl 9H-xanthene-9-carboxylate?
The canonical SMILES for methyl 9H-xanthene-9-carboxylate is COC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of methyl 9H-xanthene-9-carboxylate?
The InChIKey is RFHABUQANXJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3.
What are the key properties of methyl 9H-xanthene-9-carboxylate?
methyl 9H-xanthene-9-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9H-xanthene-9-carboxylate is sourced from PubChem (CID 699662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).