[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate

C34H34O7 — CID 144772136

IUPAC[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(OC(=O)C(=C)C)c(-c3ccc(OC)cc3)cc2OC(=O)C(=C)C)c(C(C)C)c1
InChIInChI=1S/C34H34O7/c1-19(2)27-16-25(39-32(35)20(3)4)14-15-26(27)29-18-30(40-33(36)21(5)6)28(17-31(29)41-34(37)22(7)8)23-10-12-24(38-9)13-11-23/h10-19H,3,5,7H2,1-2,4,6,8-9H3
InChIKeyRCXXNDKGZRQVBL-UHFFFAOYSA-N
MW554.64 g/mol
LogP7.60
Rot. Bonds10

About [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate

[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate (PubChem CID 144772136) has the molecular formula C34H34O7 and a molecular weight of 554.64 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate
PubChem CID144772136
Molecular FormulaC34H34O7
Molecular Weight554.64 g/mol
Exact Mass554.23
IUPAC Name[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(OC(=O)C(=C)C)c(-c3ccc(OC)cc3)cc2OC(=O)C(=C)C)c(C(C)C)c1
InChIInChI=1S/C34H34O7/c1-19(2)27-16-25(39-32(35)20(3)4)14-15-26(27)29-18-30(40-33(36)21(5)6)28(17-31(29)41-34(37)22(7)8)23-10-12-24(38-9)13-11-23/h10-19H,3,5,7H2,1-2,4,6,8-9H3
InChIKeyRCXXNDKGZRQVBL-UHFFFAOYSA-N
XLogP7.60
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[2-(4-methoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 134244888
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]-2,5-bis(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118975565
[2-[4-(2-methylprop-2-enoyloxy)phenyl]-5-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylpropanoate
CID 144772065
[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 137445339
[4-methoxy-2-[4-(2-methylpropanoyloxy)phenyl]-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 3-methylbut-2-enoate
CID 134548317
(3-propan-2-yl-4-propylphenyl) 2-methylprop-2-enoate
CID 150431295
[4-[(E)-but-2-enoyl]oxy-2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] (E)-but-2-enoate
CID 118907533
[4-[2-amino-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 163691270
[4-butoxy-2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
CID 121336175
[3-(4-methoxyphenyl)-2-oxochromen-7-yl] 2-methylprop-2-enoate
CID 58402382
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 163298238

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate (CID 144772136) is [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2cc(OC(=O)C(=C)C)c(-c3ccc(OC)cc3)cc2OC(=O)C(=C)C)c(C(C)C)c1.
What is the InChIKey of [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate?
The InChIKey is RCXXNDKGZRQVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O7/c1-19(2)27-16-25(39-32(35)20(3)4)14-15-26(27)29-18-30(40-33(36)21(5)6)28(17-31(29)41-34(37)22(7)8)23-10-12-24(38-9)13-11-23/h10-19H,3,5,7H2,1-2,4,6,8-9H3.
What are the key properties of [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate?
[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate has a molecular weight of 554.64 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 144772136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).