ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate

C19H22O4 — CID 86038981

IUPACethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O4/c1-4-22-18(21)13-23-17-11-7-15(8-12-17)19(2,3)14-5-9-16(20)10-6-14/h5-12,20H,4,13H2,1-3H3
InChIKeyHDEIFKSTWHQVRD-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.66
Rot. Bonds6

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

ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate (PubChem CID 86038981) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
PubChem CID86038981
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O4/c1-4-22-18(21)13-23-17-11-7-15(8-12-17)19(2,3)14-5-9-16(20)10-6-14/h5-12,20H,4,13H2,1-3H3
InChIKeyHDEIFKSTWHQVRD-UHFFFAOYSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbamoyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
CID 175567779
ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223
ethyl 2-[4-(2-oxopropyl)phenoxy]acetate;1-(4-hydroxyphenyl)propan-2-one
CID 159239031
ethyl 3-[4-[1,1-bis[4-(2-ethoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]propanoate
CID 25126559
3-methylbut-2-enyl 2-[4-[2-[4-[2-(3-methylbut-2-enoxy)-2-oxoethoxy]phenyl]propan-2-yl]phenoxy]acetate
CID 54224105
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
CID 19851069

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate (CID 86038981) is ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate is CCOC(=O)COc1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
The InChIKey is HDEIFKSTWHQVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-22-18(21)13-23-17-11-7-15(8-12-17)19(2,3)14-5-9-16(20)10-6-14/h5-12,20H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate?
ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate has a molecular weight of 314.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate is sourced from PubChem (CID 86038981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).