(3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate

C33H26F6O6 — CID 159639442

IUPAC(3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)OCc1cccc(C=C)c1.C=CC(=O)Oc1ccccc1C(c1ccccc1OC(=O)C=C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H14F6O4.C12H12O2/c1-3-17(28)30-15-11-7-5-9-13(15)19(20(22,23)24,21(25,26)27)14-10-6-8-12-16(14)31-18(29)4-2;1-3-10-6-5-7-11(8-10)9-14-12(13)4-2/h3-12H,1-2H2;3-8H,1-2,9H2
InChIKeyMQDWDPYMWOIUHC-UHFFFAOYSA-N
MW632.55 g/mol
LogP7.84
Rot. Bonds10

About (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate

(3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate (PubChem CID 159639442) has the molecular formula C33H26F6O6 and a molecular weight of 632.55 g/mol. Its IUPAC name is (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name(3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
PubChem CID159639442
Molecular FormulaC33H26F6O6
Molecular Weight632.55 g/mol
Exact Mass632.16
IUPAC Name(3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)OCc1cccc(C=C)c1.C=CC(=O)Oc1ccccc1C(c1ccccc1OC(=O)C=C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H14F6O4.C12H12O2/c1-3-17(28)30-15-11-7-5-9-13(15)19(20(22,23)24,21(25,26)27)14-10-6-8-12-16(14)31-18(29)4-2;1-3-10-6-5-7-11(8-10)9-14-12(13)4-2/h3-12H,1-2H2;3-8H,1-2,9H2
InChIKeyMQDWDPYMWOIUHC-UHFFFAOYSA-N
XLogP7.84
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.55
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-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

anthracen-2-ylmethyl prop-2-enoate
CID 163424587
CID 159481428
CID 159481428
(3-ethenylphenyl)methyl butanoate
CID 89419306
O-[(3-ethenylphenyl)methyl] thiophene-2-carbothioate
CID 176729408
(3-ethenylphenyl)methyl 2-isocyanoacetate
CID 164760854
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
[3-[(trimethyl-λ4-sulfanyl)methyl]phenyl]methyl prop-2-enoate
CID 138480975
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
CID 118069099
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616

Frequently Asked Questions

What is the IUPAC name of (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
The IUPAC name of (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate (CID 159639442) is (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate.
What is the SMILES notation for (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
The canonical SMILES for (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate is C=CC(=O)OCc1cccc(C=C)c1.C=CC(=O)Oc1ccccc1C(c1ccccc1OC(=O)C=C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
The InChIKey is MQDWDPYMWOIUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6O4.C12H12O2/c1-3-17(28)30-15-11-7-5-9-13(15)19(20(22,23)24,21(25,26)27)14-10-6-8-12-16(14)31-18(29)4-2;1-3-10-6-5-7-11(8-10)9-14-12(13)4-2/h3-12H,1-2H2;3-8H,1-2,9H2.
What are the key properties of (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
(3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate has a molecular weight of 632.55 g/mol, XLogP of 7.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylphenyl)methyl prop-2-enoate;[2-[1,1,1,3,3,3-hexafluoro-2-(2-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 159639442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).