ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate

C18H26O4 — CID 140674159

IUPACethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CC(C)C)cc1CC(=O)OCC
InChIInChI=1S/C18H26O4/c1-5-21-17(19)11-15-8-7-14(9-13(3)4)10-16(15)12-18(20)22-6-2/h7-8,10,13H,5-6,9,11-12H2,1-4H3
InChIKeyHWUBZDBSKXKZMI-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.10
Rot. Bonds8

About ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate

ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate (PubChem CID 140674159) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
PubChem CID140674159
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CC(C)C)cc1CC(=O)OCC
InChIInChI=1S/C18H26O4/c1-5-21-17(19)11-15-8-7-14(9-13(3)4)10-16(15)12-18(20)22-6-2/h7-8,10,13H,5-6,9,11-12H2,1-4H3
InChIKeyHWUBZDBSKXKZMI-UHFFFAOYSA-N
XLogP3.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
ethyl 4-(2-hydroxypropyl)-2-(2-methylpropyl)benzoate
CID 91468051
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
CID 82553048
ethyl 2-methoxy-4-(2-methylpropyl)benzoate
CID 141306392
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-[4-[(1R)-1-aminoethyl]phenyl]acetate;hydrochloride
CID 155291481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate (CID 140674159) is ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate is CCOC(=O)Cc1ccc(CC(C)C)cc1CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate?
The InChIKey is HWUBZDBSKXKZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-5-21-17(19)11-15-8-7-14(9-13(3)4)10-16(15)12-18(20)22-6-2/h7-8,10,13H,5-6,9,11-12H2,1-4H3.
What are the key properties of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate?
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate has a molecular weight of 306.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-ethoxy-2-oxoethyl)-4-(2-methylpropyl)phenyl]acetate is sourced from PubChem (CID 140674159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).