(2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid

C16H14O4 — CID 129363201

IUPAC(2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid
SMILESCOc1c2c(cc3ccccc13)C(=O)C[C@@H](C(=O)O)C2
InChIInChI=1S/C16H14O4/c1-20-15-11-5-3-2-4-9(11)6-12-13(15)7-10(16(18)19)8-14(12)17/h2-6,10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyUWOUICCFCALLTI-JTQLQIEISA-N
MW270.28 g/mol
LogP2.68
Rot. Bonds2

About (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid

(2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid (PubChem CID 129363201) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid
PubChem CID129363201
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid
SMILESCOc1c2c(cc3ccccc13)C(=O)C[C@@H](C(=O)O)C2
InChIInChI=1S/C16H14O4/c1-20-15-11-5-3-2-4-9(11)6-12-13(15)7-10(16(18)19)8-14(12)17/h2-6,10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyUWOUICCFCALLTI-JTQLQIEISA-N
XLogP2.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid?
The IUPAC name of (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid (CID 129363201) is (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid.
What is the SMILES notation for (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid?
The canonical SMILES for (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid is COc1c2c(cc3ccccc13)C(=O)C[C@@H](C(=O)O)C2.
What is the InChIKey of (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid?
The InChIKey is UWOUICCFCALLTI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14O4/c1-20-15-11-5-3-2-4-9(11)6-12-13(15)7-10(16(18)19)8-14(12)17/h2-6,10H,7-8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid?
(2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-methoxy-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid is sourced from PubChem (CID 129363201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).