methyl 9H-xanthene-1-carboxylate

C15H12O3 — CID 66809757

IUPACmethyl 9H-xanthene-1-carboxylate
SMILESCOC(=O)c1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C15H12O3/c1-17-15(16)11-6-4-8-14-12(11)9-10-5-2-3-7-13(10)18-14/h2-8H,9H2,1H3
InChIKeyLPIORQJHNDBFBG-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.17
Rot. Bonds1

About methyl 9H-xanthene-1-carboxylate

methyl 9H-xanthene-1-carboxylate (PubChem CID 66809757) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 9H-xanthene-1-carboxylate.

Molecular Properties

Compound Namemethyl 9H-xanthene-1-carboxylate
PubChem CID66809757
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namemethyl 9H-xanthene-1-carboxylate
SMILESCOC(=O)c1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C15H12O3/c1-17-15(16)11-6-4-8-14-12(11)9-10-5-2-3-7-13(10)18-14/h2-8H,9H2,1H3
InChIKeyLPIORQJHNDBFBG-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 9H-xanthene-1-carboxylate
CID 53405461
CID 67605368
CID 67605368
CID 67123136
CID 67123136
butyl 9H-xanthene-1-carboxylate;zinc
CID 66657389
sodium;9H-xanthene-1-carboxylic acid;hydroxide
CID 67636026
neodymium(3+);tris(9H-xanthene-1-carboxylate)
CID 173018379
[di(icosyl)amino] 9H-xanthene-1-carboxylate
CID 87721871
2-(9H-xanthen-1-yloxy)benzoic acid
CID 175118326
methyl 2-methyl-4H-chromene-3-carboxylate
CID 12506920
2-methoxy-9H-xanthene-1-carboxylic acid
CID 69170212
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
methyl 11H-benzo[c][1]benzazepine-1-carboxylate
CID 46889923

Frequently Asked Questions

What is the IUPAC name of methyl 9H-xanthene-1-carboxylate?
The IUPAC name of methyl 9H-xanthene-1-carboxylate (CID 66809757) is methyl 9H-xanthene-1-carboxylate.
What is the SMILES notation for methyl 9H-xanthene-1-carboxylate?
The canonical SMILES for methyl 9H-xanthene-1-carboxylate is COC(=O)c1cccc2c1Cc1ccccc1O2.
What is the InChIKey of methyl 9H-xanthene-1-carboxylate?
The InChIKey is LPIORQJHNDBFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-15(16)11-6-4-8-14-12(11)9-10-5-2-3-7-13(10)18-14/h2-8H,9H2,1H3.
What are the key properties of methyl 9H-xanthene-1-carboxylate?
methyl 9H-xanthene-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9H-xanthene-1-carboxylate is sourced from PubChem (CID 66809757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).