ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate

C16H16O5 — CID 21440277

IUPACethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cc(=O)c2cccc(OC)c2o1
InChIInChI=1S/C16H16O5/c1-3-20-16(18)11-7-10(11)14-8-12(17)9-5-4-6-13(19-2)15(9)21-14/h4-6,8,10-11H,3,7H2,1-2H3
InChIKeyWQSFZAJWHPJION-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.47
Rot. Bonds4

About ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate

ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate (PubChem CID 21440277) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate
PubChem CID21440277
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cc(=O)c2cccc(OC)c2o1
InChIInChI=1S/C16H16O5/c1-3-20-16(18)11-7-10(11)14-8-12(17)9-5-4-6-13(19-2)15(9)21-14/h4-6,8,10-11H,3,7H2,1-2H3
InChIKeyWQSFZAJWHPJION-UHFFFAOYSA-N
XLogP2.47
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate (CID 21440277) is ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1cc(=O)c2cccc(OC)c2o1.
What is the InChIKey of ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is WQSFZAJWHPJION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-3-20-16(18)11-7-10(11)14-8-12(17)9-5-4-6-13(19-2)15(9)21-14/h4-6,8,10-11H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate?
ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 21440277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).