[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate

C19H20O3 — CID 134554188

IUPAC[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(-c2ccc(CC)c(O)c2)ccc1CC
InChIInChI=1S/C19H20O3/c1-4-13-7-9-15(11-17(13)20)16-10-8-14(5-2)18(12-16)22-19(21)6-3/h6-12,20H,3-5H2,1-2H3
InChIKeyZQZBYNAUVZYXHN-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.28
Rot. Bonds5

About [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate

[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate (PubChem CID 134554188) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate
PubChem CID134554188
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(-c2ccc(CC)c(O)c2)ccc1CC
InChIInChI=1S/C19H20O3/c1-4-13-7-9-15(11-17(13)20)16-10-8-14(5-2)18(12-16)22-19(21)6-3/h6-12,20H,3-5H2,1-2H3
InChIKeyZQZBYNAUVZYXHN-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate
CID 164806330
[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
CID 59739200
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[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
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
CID 67472291
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate (CID 134554188) is [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1cc(-c2ccc(CC)c(O)c2)ccc1CC.
What is the InChIKey of [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate?
The InChIKey is ZQZBYNAUVZYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-13-7-9-15(11-17(13)20)16-10-8-14(5-2)18(12-16)22-19(21)6-3/h6-12,20H,3-5H2,1-2H3.
What are the key properties of [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate?
[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 134554188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).