methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate

C15H22O4 — CID 82186161

IUPACmethyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
SMILESCCOc1cc(CCC(=O)OC)ccc1OC(C)C
InChIInChI=1S/C15H22O4/c1-5-18-14-10-12(7-9-15(16)17-4)6-8-13(14)19-11(2)3/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyCWTPJIBJFMDOTD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.98
Rot. Bonds7

About methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate

methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate (PubChem CID 82186161) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
PubChem CID82186161
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
SMILESCCOc1cc(CCC(=O)OC)ccc1OC(C)C
InChIInChI=1S/C15H22O4/c1-5-18-14-10-12(7-9-15(16)17-4)6-8-13(14)19-11(2)3/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyCWTPJIBJFMDOTD-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-tert-butyl-4-propan-2-yloxyphenyl)propanoate
CID 82554235
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
CID 82050366
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
CID 58655161
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate?
The IUPAC name of methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate (CID 82186161) is methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate is CCOc1cc(CCC(=O)OC)ccc1OC(C)C.
What is the InChIKey of methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate?
The InChIKey is CWTPJIBJFMDOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-18-14-10-12(7-9-15(16)17-4)6-8-13(14)19-11(2)3/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate?
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate is sourced from PubChem (CID 82186161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).