ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate

C13H18O4 — CID 82553048

IUPACethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(OC(C)C)ccc1O
InChIInChI=1S/C13H18O4/c1-4-16-13(15)8-10-7-11(17-9(2)3)5-6-12(10)14/h5-7,9,14H,4,8H2,1-3H3
InChIKeyFIDOBUYCDVEECP-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.29
Rot. Bonds5

About ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate

ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate (PubChem CID 82553048) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
PubChem CID82553048
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(OC(C)C)ccc1O
InChIInChI=1S/C13H18O4/c1-4-16-13(15)8-10-7-11(17-9(2)3)5-6-12(10)14/h5-7,9,14H,4,8H2,1-3H3
InChIKeyFIDOBUYCDVEECP-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate
CID 69378945
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
ethyl 2-(2-bromo-5-ethoxyphenyl)acetate
CID 150760921
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
CID 140674159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate (CID 82553048) is ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate is CCOC(=O)Cc1cc(OC(C)C)ccc1O.
What is the InChIKey of ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate?
The InChIKey is FIDOBUYCDVEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-13(15)8-10-7-11(17-9(2)3)5-6-12(10)14/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate?
ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate has a molecular weight of 238.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 82553048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).