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

C19H16O4 — CID 89212422

IUPAC[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C19H16O4/c1-4-18(20)22-16-9-5-14(6-10-16)15-7-11-17(12-8-15)23-19(21)13(2)3/h4-12H,1-2H2,3H3
InChIKeyNWBDKVOWHQAOOV-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.93
Rot. Bonds5

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

[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 89212422) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID89212422
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C19H16O4/c1-4-18(20)22-16-9-5-14(6-10-16)15-7-11-17(12-8-15)23-19(21)13(2)3/h4-12H,1-2H2,3H3
InChIKeyNWBDKVOWHQAOOV-UHFFFAOYSA-N
XLogP3.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219776
[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]-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
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
[4-[2-methyl-1-[4-(4-prop-2-enoyloxyphenyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 155219857
[4-[4-[2-methyl-1-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628437

Frequently Asked Questions

What is the IUPAC name of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate (CID 89212422) is [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is NWBDKVOWHQAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-4-18(20)22-16-9-5-14(6-10-16)15-7-11-17(12-8-15)23-19(21)13(2)3/h4-12H,1-2H2,3H3.
What are the key properties of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 308.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89212422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).