(3-ethyl-4-hydroxyphenyl) prop-2-enoate

C11H12O3 — CID 174614583

IUPAC(3-ethyl-4-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(O)c(CC)c1
InChIInChI=1S/C11H12O3/c1-3-8-7-9(5-6-10(8)12)14-11(13)4-2/h4-7,12H,2-3H2,1H3
InChIKeyKCOIDERRJZXBSX-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.05
Rot. Bonds3

About (3-ethyl-4-hydroxyphenyl) prop-2-enoate

(3-ethyl-4-hydroxyphenyl) prop-2-enoate (PubChem CID 174614583) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3-ethyl-4-hydroxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-4-hydroxyphenyl) prop-2-enoate
PubChem CID174614583
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3-ethyl-4-hydroxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(O)c(CC)c1
InChIInChI=1S/C11H12O3/c1-3-8-7-9(5-6-10(8)12)14-11(13)4-2/h4-7,12H,2-3H2,1H3
InChIKeyKCOIDERRJZXBSX-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.05
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-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 129281731
[3-pentyl-4-[(E)-2-(2-pentyl-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate
CID 67462765
(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate
CID 59668576
(4-hydroxy-3-propylphenyl) acetate
CID 151790700
[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate
CID 134554188
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
CID 67472291
(4-propanoylphenyl) prop-2-enoate
CID 86070287
(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
[3,4-di(propan-2-yl)phenyl] prop-2-enoate
CID 168959354
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxyphenyl) prop-2-enoate?
The IUPAC name of (3-ethyl-4-hydroxyphenyl) prop-2-enoate (CID 174614583) is (3-ethyl-4-hydroxyphenyl) prop-2-enoate.
What is the SMILES notation for (3-ethyl-4-hydroxyphenyl) prop-2-enoate?
The canonical SMILES for (3-ethyl-4-hydroxyphenyl) prop-2-enoate is C=CC(=O)Oc1ccc(O)c(CC)c1.
What is the InChIKey of (3-ethyl-4-hydroxyphenyl) prop-2-enoate?
The InChIKey is KCOIDERRJZXBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-8-7-9(5-6-10(8)12)14-11(13)4-2/h4-7,12H,2-3H2,1H3.
What are the key properties of (3-ethyl-4-hydroxyphenyl) prop-2-enoate?
(3-ethyl-4-hydroxyphenyl) prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxyphenyl) prop-2-enoate is sourced from PubChem (CID 174614583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).