(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate

C14H18O3 — CID 155661971

IUPAC(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C14H18O3/c1-5-10-7-12(17-14(16)9(3)4)8-11(6-2)13(10)15/h7-8,15H,3,5-6H2,1-2,4H3
InChIKeyYUIHXRGVCWWPHH-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.00
Rot. Bonds4

About (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate

(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate (PubChem CID 155661971) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate
PubChem CID155661971
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C14H18O3/c1-5-10-7-12(17-14(16)9(3)4)8-11(6-2)13(10)15/h7-8,15H,3,5-6H2,1-2,4H3
InChIKeyYUIHXRGVCWWPHH-UHFFFAOYSA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.00
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

[4-(3-ethyl-4-iodophenyl)phenyl] 2-methylprop-2-enoate
CID 146271671
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
2-[3-(2-methylprop-2-enoyloxy)-5-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 135209308
[4-[4-(2-methylprop-2-enoyloxy)-2-propylphenyl]phenyl] 2-methylprop-2-enoate
CID 154596457
[4-[2-ethyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2,2-dimethylpropanoate
CID 146641107
[4-[[4-[difluoro-[4-(2-methylprop-2-enoyloxy)phenyl]methoxy]-3-ethylphenoxy]-difluoromethyl]phenyl] 2-methylprop-2-enoate;ethane
CID 123913573
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
[2-(aminomethyl)-4-[3-(aminomethyl)-4-(2-methylprop-2-enoyloxy)phenoxy]phenyl] 2-methylprop-2-enoate
CID 150202611
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
3-[2-ethyl-4-[3-[3-ethyl-4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-5-(2-methylprop-2-enoyloxy)phenyl]phenoxy]propyl 2-methylprop-2-enoate
CID 118369282
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127

Frequently Asked Questions

What is the IUPAC name of (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate?
The IUPAC name of (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate (CID 155661971) is (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(CC)c(O)c(CC)c1.
What is the InChIKey of (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate?
The InChIKey is YUIHXRGVCWWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-10-7-12(17-14(16)9(3)4)8-11(6-2)13(10)15/h7-8,15H,3,5-6H2,1-2,4H3.
What are the key properties of (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate?
(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 155661971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).