ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate

C13H18O4 — CID 175409961

IUPACethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(C)(C)O)cc1O
InChIInChI=1S/C13H18O4/c1-4-17-12(15)7-9-5-6-10(8-11(9)14)13(2,3)16/h5-6,8,14,16H,4,7H2,1-3H3
InChIKeyOIWROHUUWXMEBS-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate

ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate (PubChem CID 175409961) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
PubChem CID175409961
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(C)(C)O)cc1O
InChIInChI=1S/C13H18O4/c1-4-17-12(15)7-9-5-6-10(8-11(9)14)13(2,3)16/h5-6,8,14,16H,4,7H2,1-3H3
InChIKeyOIWROHUUWXMEBS-UHFFFAOYSA-N
XLogP1.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethane;ethyl 2-(4-cyano-2-hydroxyphenyl)acetate
CID 156725106
ethyl 2-[2-(aminomethyl)-4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]phenyl]acetate
CID 174546939
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
ethyl (3S)-3-(3,4-difluorophenyl)-3-hydroxybutanoate
CID 94425144
ethyl 2-[5-(aminomethyl)-4-cyano-2-hydroxyphenyl]acetate
CID 134652264
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate (CID 175409961) is ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate is CCOC(=O)Cc1ccc(C(C)(C)O)cc1O.
What is the InChIKey of ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate?
The InChIKey is OIWROHUUWXMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-12(15)7-9-5-6-10(8-11(9)14)13(2,3)16/h5-6,8,14,16H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate?
ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate has a molecular weight of 238.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate is sourced from PubChem (CID 175409961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).