[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate

C26H22O7 — CID 144771997

IUPAC[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(OC)c(-c3ccc(OC=O)cc3C)c(OC=O)c2)cc1
InChIInChI=1S/C26H22O7/c1-16(2)26(29)33-20-7-5-18(6-8-20)19-12-23(30-4)25(24(13-19)32-15-28)22-10-9-21(31-14-27)11-17(22)3/h5-15H,1H2,2-4H3
InChIKeyBIHAQGXOQZWKAN-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.89
Rot. Bonds9

About [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate

[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 144771997) has the molecular formula C26H22O7 and a molecular weight of 446.46 g/mol. Its IUPAC name is [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate
PubChem CID144771997
Molecular FormulaC26H22O7
Molecular Weight446.46 g/mol
Exact Mass446.14
IUPAC Name[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(OC)c(-c3ccc(OC=O)cc3C)c(OC=O)c2)cc1
InChIInChI=1S/C26H22O7/c1-16(2)26(29)33-20-7-5-18(6-8-20)19-12-23(30-4)25(24(13-19)32-15-28)22-10-9-21(31-14-27)11-17(22)3/h5-15H,1H2,2-4H3
InChIKeyBIHAQGXOQZWKAN-UHFFFAOYSA-N
XLogP4.89
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-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

[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 144966682
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
[4-(3,4-dimethoxyphenyl)-3-phosphanylphenyl] 2-methylprop-2-enoate;2-methylprop-2-enal
CID 145389550
[2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907377
[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 139527455
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[4-[3-chloro-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 67472309
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-[3-fluoro-4-(3-formyloxyphenyl)phenyl]-2-formyloxyphenyl] 2-methylprop-2-enoate
CID 138567404
[4-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3-methylphenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727535
2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123402652

Frequently Asked Questions

What is the IUPAC name of [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate (CID 144771997) is [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2cc(OC)c(-c3ccc(OC=O)cc3C)c(OC=O)c2)cc1.
What is the InChIKey of [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is BIHAQGXOQZWKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O7/c1-16(2)26(29)33-20-7-5-18(6-8-20)19-12-23(30-4)25(24(13-19)32-15-28)22-10-9-21(31-14-27)11-17(22)3/h5-15H,1H2,2-4H3.
What are the key properties of [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate?
[4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 446.46 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-formyloxy-4-(4-formyloxy-2-methylphenyl)-5-methoxyphenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 144771997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).