propan-2-yl 3-(4-methoxyphenyl)propanoate

C13H18O3 — CID 14043099

IUPACpropan-2-yl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyCWEUWBAIMSRHCU-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds5

About propan-2-yl 3-(4-methoxyphenyl)propanoate

propan-2-yl 3-(4-methoxyphenyl)propanoate (PubChem CID 14043099) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is propan-2-yl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-methoxyphenyl)propanoate
PubChem CID14043099
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namepropan-2-yl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyCWEUWBAIMSRHCU-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Yangonin
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Anisylacetone
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Cinoxate
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4-Methoxybenzyl acetate
CID 7695
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CID 657220

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of propan-2-yl 3-(4-methoxyphenyl)propanoate (CID 14043099) is propan-2-yl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 3-(4-methoxyphenyl)propanoate?
The InChIKey is CWEUWBAIMSRHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3.
What are the key properties of propan-2-yl 3-(4-methoxyphenyl)propanoate?
propan-2-yl 3-(4-methoxyphenyl)propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 14043099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).