4-methoxy-6H-benzo[c]chromene-1-carboxylic acid

C15H12O4 — CID 86169696

IUPAC4-methoxy-6H-benzo[c]chromene-1-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2c1OCc1ccccc1-2
InChIInChI=1S/C15H12O4/c1-18-12-7-6-11(15(16)17)13-10-5-3-2-4-9(10)8-19-14(12)13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyJCHRFAQRENWMEO-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.95
Rot. Bonds2

About 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid

4-methoxy-6H-benzo[c]chromene-1-carboxylic acid (PubChem CID 86169696) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6H-benzo[c]chromene-1-carboxylic acid
PubChem CID86169696
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-methoxy-6H-benzo[c]chromene-1-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2c1OCc1ccccc1-2
InChIInChI=1S/C15H12O4/c1-18-12-7-6-11(15(16)17)13-10-5-3-2-4-9(10)8-19-14(12)13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyJCHRFAQRENWMEO-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid?
The IUPAC name of 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid (CID 86169696) is 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid?
The canonical SMILES for 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid is COc1ccc(C(=O)O)c2c1OCc1ccccc1-2.
What is the InChIKey of 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid?
The InChIKey is JCHRFAQRENWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-12-7-6-11(15(16)17)13-10-5-3-2-4-9(10)8-19-14(12)13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid?
4-methoxy-6H-benzo[c]chromene-1-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6H-benzo[c]chromene-1-carboxylic acid is sourced from PubChem (CID 86169696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).