methyl 2H-benzo[h]chromene-4-carboxylate

C15H12O3 — CID 91192187

IUPACmethyl 2H-benzo[h]chromene-4-carboxylate
SMILESCOC(=O)C1=CCOc2c1ccc1ccccc21
InChIInChI=1S/C15H12O3/c1-17-15(16)13-8-9-18-14-11-5-3-2-4-10(11)6-7-12(13)14/h2-8H,9H2,1H3
InChIKeyIOHLKXBIMWXTJM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.79
Rot. Bonds1

About methyl 2H-benzo[h]chromene-4-carboxylate

methyl 2H-benzo[h]chromene-4-carboxylate (PubChem CID 91192187) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2H-benzo[h]chromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2H-benzo[h]chromene-4-carboxylate
PubChem CID91192187
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namemethyl 2H-benzo[h]chromene-4-carboxylate
SMILESCOC(=O)C1=CCOc2c1ccc1ccccc21
InChIInChI=1S/C15H12O3/c1-17-15(16)13-8-9-18-14-11-5-3-2-4-10(11)6-7-12(13)14/h2-8H,9H2,1H3
InChIKeyIOHLKXBIMWXTJM-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 1-aminonaphthalene-2-carboxylate
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benzhydryl 3H-benzo[f]chromene-1-carboxylate
CID 160665485
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Frequently Asked Questions

What is the IUPAC name of methyl 2H-benzo[h]chromene-4-carboxylate?
The IUPAC name of methyl 2H-benzo[h]chromene-4-carboxylate (CID 91192187) is methyl 2H-benzo[h]chromene-4-carboxylate.
What is the SMILES notation for methyl 2H-benzo[h]chromene-4-carboxylate?
The canonical SMILES for methyl 2H-benzo[h]chromene-4-carboxylate is COC(=O)C1=CCOc2c1ccc1ccccc21.
What is the InChIKey of methyl 2H-benzo[h]chromene-4-carboxylate?
The InChIKey is IOHLKXBIMWXTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-15(16)13-8-9-18-14-11-5-3-2-4-10(11)6-7-12(13)14/h2-8H,9H2,1H3.
What are the key properties of methyl 2H-benzo[h]chromene-4-carboxylate?
methyl 2H-benzo[h]chromene-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-benzo[h]chromene-4-carboxylate is sourced from PubChem (CID 91192187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).