methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate

C15H12O4 — CID 141108901

IUPACmethyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate
SMILESCOC(=O)c1ccc2c3c(ccc2c1)C=CC(O)O3
InChIInChI=1S/C15H12O4/c1-18-15(17)11-4-6-12-10(8-11)3-2-9-5-7-13(16)19-14(9)12/h2-8,13,16H,1H3
InChIKeyIBELCYLOPSWMPW-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.35
Rot. Bonds1

About methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate

methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate (PubChem CID 141108901) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate
PubChem CID141108901
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate
SMILESCOC(=O)c1ccc2c3c(ccc2c1)C=CC(O)O3
InChIInChI=1S/C15H12O4/c1-18-15(17)11-4-6-12-10(8-11)3-2-9-5-7-13(16)19-14(9)12/h2-8,13,16H,1H3
InChIKeyIBELCYLOPSWMPW-UHFFFAOYSA-N
XLogP2.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate?
The IUPAC name of methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate (CID 141108901) is methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate?
The canonical SMILES for methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate is COC(=O)c1ccc2c3c(ccc2c1)C=CC(O)O3.
What is the InChIKey of methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate?
The InChIKey is IBELCYLOPSWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-15(17)11-4-6-12-10(8-11)3-2-9-5-7-13(16)19-14(9)12/h2-8,13,16H,1H3.
What are the key properties of methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate?
methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2H-benzo[h]chromene-8-carboxylate is sourced from PubChem (CID 141108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).