ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate

C23H28O4 — CID 73333946

IUPACethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1CC1CCCCC1
InChIInChI=1S/C23H28O4/c1-2-26-23(25)16-27-22-13-10-19(18-8-11-21(24)12-9-18)15-20(22)14-17-6-4-3-5-7-17/h8-13,15,17,24H,2-7,14,16H2,1H3
InChIKeyDIEVRZYVYAAEEU-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.12
Rot. Bonds7

About ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate

ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate (PubChem CID 73333946) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate
PubChem CID73333946
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Nameethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1CC1CCCCC1
InChIInChI=1S/C23H28O4/c1-2-26-23(25)16-27-22-13-10-19(18-8-11-21(24)12-9-18)15-20(22)14-17-6-4-3-5-7-17/h8-13,15,17,24H,2-7,14,16H2,1H3
InChIKeyDIEVRZYVYAAEEU-UHFFFAOYSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate (CID 73333946) is ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1CC1CCCCC1.
What is the InChIKey of ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate?
The InChIKey is DIEVRZYVYAAEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-2-26-23(25)16-27-22-13-10-19(18-8-11-21(24)12-9-18)15-20(22)14-17-6-4-3-5-7-17/h8-13,15,17,24H,2-7,14,16H2,1H3.
What are the key properties of ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate?
ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate has a molecular weight of 368.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclohexylmethyl)-4-(4-hydroxyphenyl)phenoxy]acetate is sourced from PubChem (CID 73333946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).