[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate

C30H30O8 — CID 74061768

IUPAC[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCc2cc(OC)c(COC(=O)C=Cc3ccc(OC)cc3)cc2OC)cc1
InChIInChI=1S/C30H30O8/c1-33-25-11-5-21(6-12-25)9-15-29(31)37-19-23-17-28(36-4)24(18-27(23)35-3)20-38-30(32)16-10-22-7-13-26(34-2)14-8-22/h5-18H,19-20H2,1-4H3
InChIKeyDZFMGPGVBXGJDX-UHFFFAOYSA-N
MW518.56 g/mol
LogP5.23
Rot. Bonds12

About [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate

[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 74061768) has the molecular formula C30H30O8 and a molecular weight of 518.56 g/mol. Its IUPAC name is [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
PubChem CID74061768
Molecular FormulaC30H30O8
Molecular Weight518.56 g/mol
Exact Mass518.19
IUPAC Name[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCc2cc(OC)c(COC(=O)C=Cc3ccc(OC)cc3)cc2OC)cc1
InChIInChI=1S/C30H30O8/c1-33-25-11-5-21(6-12-25)9-15-29(31)37-19-23-17-28(36-4)24(18-27(23)35-3)20-38-30(32)16-10-22-7-13-26(34-2)14-8-22/h5-18H,19-20H2,1-4H3
InChIKeyDZFMGPGVBXGJDX-UHFFFAOYSA-N
XLogP5.23
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.56
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6087705
(4-bromo-2,5-dimethoxyphenyl)methyl (E)-3-phenylprop-2-enoate
CID 7852923
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
CID 5113782
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4008524
(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740706
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949466
(2-methoxy-5-methylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7604112

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate (CID 74061768) is [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)OCc2cc(OC)c(COC(=O)C=Cc3ccc(OC)cc3)cc2OC)cc1.
What is the InChIKey of [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is DZFMGPGVBXGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O8/c1-33-25-11-5-21(6-12-25)9-15-29(31)37-19-23-17-28(36-4)24(18-27(23)35-3)20-38-30(32)16-10-22-7-13-26(34-2)14-8-22/h5-18H,19-20H2,1-4H3.
What are the key properties of [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate?
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 518.56 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 74061768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).