ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate

C18H28O3 — CID 141377256

IUPACethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate
SMILESCCCC(C)(C(=O)OCC)C(C)(C)c1ccccc1OC
InChIInChI=1S/C18H28O3/c1-7-13-18(5,16(19)21-8-2)17(3,4)14-11-9-10-12-15(14)20-6/h9-12H,7-8,13H2,1-6H3
InChIKeyDWKRASPOEZEBKT-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.34
Rot. Bonds7

About ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate

ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate (PubChem CID 141377256) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate
PubChem CID141377256
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Nameethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate
SMILESCCCC(C)(C(=O)OCC)C(C)(C)c1ccccc1OC
InChIInChI=1S/C18H28O3/c1-7-13-18(5,16(19)21-8-2)17(3,4)14-11-9-10-12-15(14)20-6/h9-12H,7-8,13H2,1-6H3
InChIKeyDWKRASPOEZEBKT-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
tert-butyl (3S)-3-hydroxy-3-(2-methoxyphenyl)butanoate
CID 125467754
ethyl (3S)-3-[[(S)-tert-butylsulfinyl]amino]-4,4,4-trifluoro-3-(2-methoxyphenyl)butanoate
CID 71560373
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
3-(2-methoxyphenyl)-3-(methylamino)butanamide
CID 65236411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate?
The IUPAC name of ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate (CID 141377256) is ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate.
What is the SMILES notation for ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate?
The canonical SMILES for ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate is CCCC(C)(C(=O)OCC)C(C)(C)c1ccccc1OC.
What is the InChIKey of ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate?
The InChIKey is DWKRASPOEZEBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-7-13-18(5,16(19)21-8-2)17(3,4)14-11-9-10-12-15(14)20-6/h9-12H,7-8,13H2,1-6H3.
What are the key properties of ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate?
ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate has a molecular weight of 292.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate is sourced from PubChem (CID 141377256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).