[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate

C25H28O4 — CID 59739200

IUPAC[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)c(CC)c2)cc1CC
InChIInChI=1S/C25H28O4/c1-7-17-15-19(11-13-21(17)28-23(26)9-3)25(5,6)20-12-14-22(18(8-2)16-20)29-24(27)10-4/h9-16H,3-4,7-8H2,1-2,5-6H3
InChIKeyBGVVDIXZHOFQIT-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.32
Rot. Bonds8

About [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate

[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate (PubChem CID 59739200) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
PubChem CID59739200
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)c(CC)c2)cc1CC
InChIInChI=1S/C25H28O4/c1-7-17-15-19(11-13-21(17)28-23(26)9-3)25(5,6)20-12-14-22(18(8-2)16-20)29-24(27)10-4/h9-16H,3-4,7-8H2,1-2,5-6H3
InChIKeyBGVVDIXZHOFQIT-UHFFFAOYSA-N
XLogP5.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.32
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

[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
CID 20820433
[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;ethane
CID 145491393
[3-ethyl-4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 129281731
[4-[2-(4-methoxycarbonyloxy-3-propylphenyl)propan-2-yl]-2-propylphenyl] methyl carbonate
CID 161475917
(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175484421
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
[4-[2-[4-[amino-(2-methylphenoxy)phosphanyl]oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] prop-2-enoate
CID 89033808
(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate
CID 59668576
[6-[2-(3,4-diethoxy-2-prop-2-enoyloxyphenyl)propan-2-yl]-2,3-diethoxyphenyl] prop-2-enoate
CID 67764266
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate
CID 134554188

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
The IUPAC name of [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate (CID 59739200) is [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)c(CC)c2)cc1CC.
What is the InChIKey of [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
The InChIKey is BGVVDIXZHOFQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-7-17-15-19(11-13-21(17)28-23(26)9-3)25(5,6)20-12-14-22(18(8-2)16-20)29-24(27)10-4/h9-16H,3-4,7-8H2,1-2,5-6H3.
What are the key properties of [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate?
[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate has a molecular weight of 392.50 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 59739200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).