(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C26H28O5 — CID 175484421

IUPAC(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESC=CC(=O)Oc1ccccc1OCC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H16O2.C11H12O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-3-11(12)14-10-8-6-5-7-9(10)13-4-2/h3-10,16-17H,1-2H3;3,5-8H,1,4H2,2H3
InChIKeyQYKOESLXCUMNGW-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.60
Rot. Bonds6

About (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 175484421) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID175484421
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESC=CC(=O)Oc1ccccc1OCC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H16O2.C11H12O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-3-11(12)14-10-8-6-5-7-9(10)13-4-2/h3-10,16-17H,1-2H3;3,5-8H,1,4H2,2H3
InChIKeyQYKOESLXCUMNGW-UHFFFAOYSA-N
XLogP5.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
CID 59739200
[6-[2-(3,4-diethoxy-2-prop-2-enoyloxyphenyl)propan-2-yl]-2,3-diethoxyphenyl] prop-2-enoate
CID 67764266
bis(prop-2-enoic acid);2,3,5,6-tetraethoxy-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175878014
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
(2-methoxyphenyl) prop-2-enoate
CID 22987486
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
[4-(2,3-diethoxy-4-prop-2-enoyloxyphenyl)sulfonyl-2,3-diethoxyphenyl] prop-2-enoate
CID 22620934
4-[2-(2-ethenoxyphenyl)propan-2-yl]phenol
CID 69283924
[3-(2-chloropropan-2-yl)-2-ethylphenyl] prop-2-enoate
CID 54355967
(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate
CID 141075886
[4-[2-[4-[amino-(2-methylphenoxy)phosphanyl]oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] prop-2-enoate
CID 89033808

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 175484421) is (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is C=CC(=O)Oc1ccccc1OCC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is QYKOESLXCUMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C11H12O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-3-11(12)14-10-8-6-5-7-9(10)13-4-2/h3-10,16-17H,1-2H3;3,5-8H,1,4H2,2H3.
What are the key properties of (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 420.51 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 175484421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).