(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate

C24H24O6 — CID 7265351

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C24H24O6/c1-3-4-16-5-7-17(8-6-16)21(25)11-12-23(26)29-15-18-13-24(27)30-22-14-19(28-2)9-10-20(18)22/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyAXNQEWMSAMPOEI-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.46
Rot. Bonds9

About (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate

(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate (PubChem CID 7265351) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
PubChem CID7265351
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C24H24O6/c1-3-4-16-5-7-17(8-6-16)21(25)11-12-23(26)29-15-18-13-24(27)30-22-14-19(28-2)9-10-20(18)22/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyAXNQEWMSAMPOEI-UHFFFAOYSA-N
XLogP4.46
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 4693748
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 27614104
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967646
(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811334
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
CID 7828090
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
(7-methoxy-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate
CID 7227766

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate (CID 7265351) is (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate is CCCc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate?
The InChIKey is AXNQEWMSAMPOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-3-4-16-5-7-17(8-6-16)21(25)11-12-23(26)29-15-18-13-24(27)30-22-14-19(28-2)9-10-20(18)22/h5-10,13-14H,3-4,11-12,15H2,1-2H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate?
(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate has a molecular weight of 408.45 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate is sourced from PubChem (CID 7265351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).