propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate

C21H20O4 — CID 22763960

IUPACpropyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate
SMILESCCCOC(=O)C(C)c1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C21H20O4/c1-3-11-24-21(23)14(2)16-9-10-19-17(12-16)18(22)13-20(25-19)15-7-5-4-6-8-15/h4-10,12-14H,3,11H2,1-2H3
InChIKeyFDMBCKDACRXALO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.52
Rot. Bonds5

About propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate

propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate (PubChem CID 22763960) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate.

Molecular Properties

Compound Namepropyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate
PubChem CID22763960
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Namepropyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate
SMILESCCCOC(=O)C(C)c1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C21H20O4/c1-3-11-24-21(23)14(2)16-9-10-19-17(12-16)18(22)13-20(25-19)15-7-5-4-6-8-15/h4-10,12-14H,3,11H2,1-2H3
InChIKeyFDMBCKDACRXALO-UHFFFAOYSA-N
XLogP4.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate
CID 22763971
propyl (2R)-2-phenylpropanoate
CID 14926551
6-ethyl-2-phenylchromen-4-one
CID 10999458
ethyl (2R)-2-(4-oxo-2-phenylchromen-7-yl)oxybutanoate
CID 102074481
2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate
CID 22763972
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274479
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
CID 21287354
2-(4-oxo-6-pentoxy-2-phenylchromen-7-yl)oxyacetic acid
CID 19358658
2-phenylchromen-4-one
CID 90124083

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate?
The IUPAC name of propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate (CID 22763960) is propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate.
What is the SMILES notation for propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate?
The canonical SMILES for propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate is CCCOC(=O)C(C)c1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate?
The InChIKey is FDMBCKDACRXALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-3-11-24-21(23)14(2)16-9-10-19-17(12-16)18(22)13-20(25-19)15-7-5-4-6-8-15/h4-10,12-14H,3,11H2,1-2H3.
What are the key properties of propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate?
propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate has a molecular weight of 336.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate is sourced from PubChem (CID 22763960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).