methyl 3-(4-propoxyphenyl)propanoate

C13H18O3 — CID 22949961

IUPACmethyl 3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc(CCC(=O)OC)cc1
InChIInChI=1S/C13H18O3/c1-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15-2/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyAYDKYWLQSBLABZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.58
Rot. Bonds6

About methyl 3-(4-propoxyphenyl)propanoate

methyl 3-(4-propoxyphenyl)propanoate (PubChem CID 22949961) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 3-(4-propoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-propoxyphenyl)propanoate
PubChem CID22949961
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc(CCC(=O)OC)cc1
InChIInChI=1S/C13H18O3/c1-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15-2/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyAYDKYWLQSBLABZ-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-[2-[dodecyl(methyl)amino]ethoxy]phenyl]propanoate
CID 22949959
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
methyl 3-[4-[3-(3-hydroxypropylamino)propoxy]phenyl]propanoate
CID 70495542
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-propoxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-propoxyphenyl)propanoate (CID 22949961) is methyl 3-(4-propoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-propoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-propoxyphenyl)propanoate is CCCOc1ccc(CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-propoxyphenyl)propanoate?
The InChIKey is AYDKYWLQSBLABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15-2/h4-5,7-8H,3,6,9-10H2,1-2H3.
What are the key properties of methyl 3-(4-propoxyphenyl)propanoate?
methyl 3-(4-propoxyphenyl)propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-propoxyphenyl)propanoate is sourced from PubChem (CID 22949961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).