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

C12H14O3 — CID 164806330

IUPAC(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(CC)cc1O
InChIInChI=1S/C12H14O3/c1-3-9-5-6-10(11(13)7-9)8-15-12(14)4-2/h4-7,13H,2-3,8H2,1H3
InChIKeyVVUBCQFOWRMRPQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.18
Rot. Bonds4

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

(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate (PubChem CID 164806330) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate
PubChem CID164806330
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(CC)cc1O
InChIInChI=1S/C12H14O3/c1-3-9-5-6-10(11(13)7-9)8-15-12(14)4-2/h4-7,13H,2-3,8H2,1H3
InChIKeyVVUBCQFOWRMRPQ-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylsulfanylphenyl)methyl prop-2-enoate
CID 171485836
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
[4-(2-hydroxyethyl)-3-(prop-2-enoyloxymethyl)phenyl] 4-propylbenzoate
CID 134193091
[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
CID 174980361
[2-ethyl-5-(4-ethyl-3-hydroxyphenyl)phenyl] prop-2-enoate
CID 134554188
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
CID 145121937
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
[4-[3-(prop-2-enoyloxymethyl)-4-[4-(4-propylbenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-propylbenzoate
CID 134597376
[4-[2-[4-(4-ethylphenyl)phenyl]-1-[4-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 58520026
[2-methyl-4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl] 3,4-bis(prop-2-enoyloxymethyl)benzoate
CID 145309471
[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate?
The IUPAC name of (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate (CID 164806330) is (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate.
What is the SMILES notation for (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate?
The canonical SMILES for (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate is C=CC(=O)OCc1ccc(CC)cc1O.
What is the InChIKey of (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate?
The InChIKey is VVUBCQFOWRMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-9-5-6-10(11(13)7-9)8-15-12(14)4-2/h4-7,13H,2-3,8H2,1H3.
What are the key properties of (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate?
(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate is sourced from PubChem (CID 164806330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).