methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate

C16H22O4 — CID 117245908

IUPACmethyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)C1CCCC1
InChIInChI=1S/C16H22O4/c1-18-13-7-9-14(10-8-13)20-11-15(16(17)19-2)12-5-3-4-6-12/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyDYPLNKBSPLILEJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.05
Rot. Bonds6

About methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate

methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate (PubChem CID 117245908) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
PubChem CID117245908
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Namemethyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)C1CCCC1
InChIInChI=1S/C16H22O4/c1-18-13-7-9-14(10-8-13)20-11-15(16(17)19-2)12-5-3-4-6-12/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyDYPLNKBSPLILEJ-UHFFFAOYSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
CID 117239792
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
CID 117245851
methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
CID 117239760
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate?
The IUPAC name of methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate (CID 117245908) is methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate is COC(=O)C(COc1ccc(OC)cc1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate?
The InChIKey is DYPLNKBSPLILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-18-13-7-9-14(10-8-13)20-11-15(16(17)19-2)12-5-3-4-6-12/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate?
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate has a molecular weight of 278.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 117245908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).