ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate

C17H18O4 — CID 144556874

IUPACethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate
SMILESCC.COC(=O)c1cc2c(cc1O)OCc1ccccc1-2
InChIInChI=1S/C15H12O4.C2H6/c1-18-15(17)12-6-11-10-5-3-2-4-9(10)8-19-14(11)7-13(12)16;1-2/h2-7,16H,8H2,1H3;1-2H3
InChIKeySLBLFAGWUVWISF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.76
Rot. Bonds1

About ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate

ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate (PubChem CID 144556874) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate
PubChem CID144556874
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate
SMILESCC.COC(=O)c1cc2c(cc1O)OCc1ccccc1-2
InChIInChI=1S/C15H12O4.C2H6/c1-18-15(17)12-6-11-10-5-3-2-4-9(10)8-19-14(11)7-13(12)16;1-2/h2-7,16H,8H2,1H3;1-2H3
InChIKeySLBLFAGWUVWISF-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate?
The IUPAC name of ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate (CID 144556874) is ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate?
The canonical SMILES for ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate is CC.COC(=O)c1cc2c(cc1O)OCc1ccccc1-2.
What is the InChIKey of ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate?
The InChIKey is SLBLFAGWUVWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4.C2H6/c1-18-15(17)12-6-11-10-5-3-2-4-9(10)8-19-14(11)7-13(12)16;1-2/h2-7,16H,8H2,1H3;1-2H3.
What are the key properties of ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate?
ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate is sourced from PubChem (CID 144556874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).