[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate

C29H26O8 — CID 2792994

IUPAC[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)Oc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2)cc1OCC
InChIInChI=1S/C29H26O8/c1-4-33-24-14-6-19(16-26(24)34-5-2)7-15-28(30)37-22-12-13-23-25(17-22)35-18-27(29(23)31)36-21-10-8-20(32-3)9-11-21/h6-18H,4-5H2,1-3H3
InChIKeyCJRBTZHDPOHIQS-UHFFFAOYSA-N
MW502.52 g/mol
LogP6.01
Rot. Bonds10

About [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate

[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate (PubChem CID 2792994) has the molecular formula C29H26O8 and a molecular weight of 502.52 g/mol. Its IUPAC name is [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate
PubChem CID2792994
Molecular FormulaC29H26O8
Molecular Weight502.52 g/mol
Exact Mass502.16
IUPAC Name[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)Oc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2)cc1OCC
InChIInChI=1S/C29H26O8/c1-4-33-24-14-6-19(16-26(24)34-5-2)7-15-28(30)37-22-12-13-23-25(17-22)35-18-27(29(23)31)36-21-10-8-20(32-3)9-11-21/h6-18H,4-5H2,1-3H3
InChIKeyCJRBTZHDPOHIQS-UHFFFAOYSA-N
XLogP6.01
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.52
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-ethylphenoxy)-4-oxochromen-7-yl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 5207212
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4226667
[3-(4-ethylphenoxy)-4-oxochromen-7-yl] 3-(3,4-dichlorophenyl)prop-2-enoate
CID 3488155
(4-methyl-2-oxochromen-7-yl) (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 19172103
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
[3-(3-methylphenoxy)-4-oxochromen-7-yl] 3-(4-methylphenyl)prop-2-enoate
CID 5069692
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
[3-(2-ethylphenoxy)-4-oxochromen-7-yl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5054256
[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 3342724

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate?
The IUPAC name of [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate (CID 2792994) is [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate?
The canonical SMILES for [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate is CCOc1ccc(C=CC(=O)Oc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2)cc1OCC.
What is the InChIKey of [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate?
The InChIKey is CJRBTZHDPOHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O8/c1-4-33-24-14-6-19(16-26(24)34-5-2)7-15-28(30)37-22-12-13-23-25(17-22)35-18-27(29(23)31)36-21-10-8-20(32-3)9-11-21/h6-18H,4-5H2,1-3H3.
What are the key properties of [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate?
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate has a molecular weight of 502.52 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2792994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).