ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate

C21H18O4 — CID 21440274

IUPACethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cc(=O)c2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C21H18O4/c1-2-24-21(23)16-11-15(16)20-12-18(22)17-10-14(8-9-19(17)25-20)13-6-4-3-5-7-13/h3-10,12,15-16H,2,11H2,1H3
InChIKeyGYWPRRBKGMYXBL-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.13
Rot. Bonds4

About ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate

ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate (PubChem CID 21440274) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate
PubChem CID21440274
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Nameethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cc(=O)c2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C21H18O4/c1-2-24-21(23)16-11-15(16)20-12-18(22)17-10-14(8-9-19(17)25-20)13-6-4-3-5-7-13/h3-10,12,15-16H,2,11H2,1H3
InChIKeyGYWPRRBKGMYXBL-UHFFFAOYSA-N
XLogP4.13
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate (CID 21440274) is ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1cc(=O)c2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is GYWPRRBKGMYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-2-24-21(23)16-11-15(16)20-12-18(22)17-10-14(8-9-19(17)25-20)13-6-4-3-5-7-13/h3-10,12,15-16H,2,11H2,1H3.
What are the key properties of ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate?
ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 21440274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).