2-methoxy-9H-xanthene-1-carboxylic acid

C15H12O4 — CID 69170212

IUPAC2-methoxy-9H-xanthene-1-carboxylic acid
SMILESCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2
InChIInChI=1S/C15H12O4/c1-18-13-7-6-12-10(14(13)15(16)17)8-9-4-2-3-5-11(9)19-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyLHHLEFBDDHNWNV-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.09
Rot. Bonds2

About 2-methoxy-9H-xanthene-1-carboxylic acid

2-methoxy-9H-xanthene-1-carboxylic acid (PubChem CID 69170212) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-methoxy-9H-xanthene-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-9H-xanthene-1-carboxylic acid
PubChem CID69170212
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-methoxy-9H-xanthene-1-carboxylic acid
SMILESCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2
InChIInChI=1S/C15H12O4/c1-18-13-7-6-12-10(14(13)15(16)17)8-9-4-2-3-5-11(9)19-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyLHHLEFBDDHNWNV-UHFFFAOYSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9H-xanthene-1-carboxylic acid?
The IUPAC name of 2-methoxy-9H-xanthene-1-carboxylic acid (CID 69170212) is 2-methoxy-9H-xanthene-1-carboxylic acid.
What is the SMILES notation for 2-methoxy-9H-xanthene-1-carboxylic acid?
The canonical SMILES for 2-methoxy-9H-xanthene-1-carboxylic acid is COc1ccc2c(c1C(=O)O)Cc1ccccc1O2.
What is the InChIKey of 2-methoxy-9H-xanthene-1-carboxylic acid?
The InChIKey is LHHLEFBDDHNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-13-7-6-12-10(14(13)15(16)17)8-9-4-2-3-5-11(9)19-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-9H-xanthene-1-carboxylic acid?
2-methoxy-9H-xanthene-1-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9H-xanthene-1-carboxylic acid is sourced from PubChem (CID 69170212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).