(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate

C18H16O5 — CID 906606

IUPAC(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
SMILESCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12
InChIInChI=1S/C18H16O5/c1-3-5-12-10-16(19)23-17-11(2)14(8-7-13(12)17)22-18(20)15-6-4-9-21-15/h4,6-10H,3,5H2,1-2H3
InChIKeySFQFJOYOPCHFKF-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.87
Rot. Bonds4

About (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate

(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate (PubChem CID 906606) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
PubChem CID906606
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
SMILESCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12
InChIInChI=1S/C18H16O5/c1-3-5-12-10-16(19)23-17-11(2)14(8-7-13(12)17)22-18(20)15-6-4-9-21-15/h4,6-10H,3,5H2,1-2H3
InChIKeySFQFJOYOPCHFKF-UHFFFAOYSA-N
XLogP3.87
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
CID 905836
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
CID 705656
(8-methyl-2-oxo-4-propylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 6568126
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
(4-butyl-8-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate
CID 3652151
8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
CID 2299144
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601
8-methoxy-4-propylchromen-2-one
CID 42602895

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate?
The IUPAC name of (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate (CID 906606) is (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate.
What is the SMILES notation for (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate?
The canonical SMILES for (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate is CCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12.
What is the InChIKey of (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate?
The InChIKey is SFQFJOYOPCHFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-5-12-10-16(19)23-17-11(2)14(8-7-13(12)17)22-18(20)15-6-4-9-21-15/h4,6-10H,3,5H2,1-2H3.
What are the key properties of (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate?
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate is sourced from PubChem (CID 906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).