ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate

C24H30O4 — CID 69314782

IUPACethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H30O4/c1-3-27-23(26)24(2,17-18-9-13-21(25)14-10-18)28-22-15-11-20(12-16-22)19-7-5-4-6-8-19/h9-16,19,25H,3-8,17H2,1-2H3
InChIKeyOWQRUGUGNVFZQQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.38
Rot. Bonds7

About ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate

ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate (PubChem CID 69314782) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
PubChem CID69314782
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Nameethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H30O4/c1-3-27-23(26)24(2,17-18-9-13-21(25)14-10-18)28-22-15-11-20(12-16-22)19-7-5-4-6-8-19/h9-16,19,25H,3-8,17H2,1-2H3
InChIKeyOWQRUGUGNVFZQQ-UHFFFAOYSA-N
XLogP5.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexylphenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21084282
ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 69319839
ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
CID 20823143
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10713588
ethyl 3-(4-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10522251
ethyl 2-(4-benzoylphenoxy)-3-(4-ethylphenyl)-2-methylpropanoate
CID 10549831
(4-cyclopentylphenyl) ethyl carbonate
CID 152547473
ethyl 2-(4-aminophenoxy)-2-methylbutanoate
CID 59036055
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate (CID 69314782) is ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate is CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
The InChIKey is OWQRUGUGNVFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-3-27-23(26)24(2,17-18-9-13-21(25)14-10-18)28-22-15-11-20(12-16-22)19-7-5-4-6-8-19/h9-16,19,25H,3-8,17H2,1-2H3.
What are the key properties of ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate?
ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate has a molecular weight of 382.50 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 69314782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).