[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate

C32H26O5 — CID 155219776

IUPAC[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OCc3ccc(-c4ccc(OC(=O)C(=C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H26O5/c1-4-31(33)36-29-17-11-27(12-18-29)25-9-15-28(16-10-25)35-21-23-5-7-24(8-6-23)26-13-19-30(20-14-26)37-32(34)22(2)3/h4-20H,1-2,21H2,3H3
InChIKeyLWSJWPKWXYRBMG-UHFFFAOYSA-N
MW490.56 g/mol
LogP7.17
Rot. Bonds9

About [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate

[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 155219776) has the molecular formula C32H26O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID155219776
Molecular FormulaC32H26O5
Molecular Weight490.56 g/mol
Exact Mass490.18
IUPAC Name[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OCc3ccc(-c4ccc(OC(=O)C(=C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H26O5/c1-4-31(33)36-29-17-11-27(12-18-29)25-9-15-28(16-10-25)35-21-23-5-7-24(8-6-23)26-13-19-30(20-14-26)37-32(34)22(2)3/h4-20H,1-2,21H2,3H3
InChIKeyLWSJWPKWXYRBMG-UHFFFAOYSA-N
XLogP7.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628388
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628430
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
ethane;[4-[[4-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenoxy)propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenyl)methoxy]phenyl] 2-methylprop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yloxy]phenyl] 2-methylprop-2-enoate
CID 161003979
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
[4-[4-[2-methyl-1-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628437
[4-[2-methyl-1-[4-(4-prop-2-enoyloxyphenyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 155219857
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate (CID 155219776) is [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OCc3ccc(-c4ccc(OC(=O)C(=C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is LWSJWPKWXYRBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O5/c1-4-31(33)36-29-17-11-27(12-18-29)25-9-15-28(16-10-25)35-21-23-5-7-24(8-6-23)26-13-19-30(20-14-26)37-32(34)22(2)3/h4-20H,1-2,21H2,3H3.
What are the key properties of [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate?
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 490.56 g/mol, XLogP of 7.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155219776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).