methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate

C15H18O4 — CID 15429931

IUPACmethyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc([C@H]2CCC(=O)C2)cc1
InChIInChI=1S/C15H18O4/c1-10(15(17)18-2)19-14-7-4-11(5-8-14)12-3-6-13(16)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3/t10-,12+/m1/s1
InChIKeyGPOIWHBMOUJSLT-PWSUYJOCSA-N
MW262.31 g/mol
LogP2.46
Rot. Bonds4

About methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate

methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate (PubChem CID 15429931) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate
PubChem CID15429931
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namemethyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc([C@H]2CCC(=O)C2)cc1
InChIInChI=1S/C15H18O4/c1-10(15(17)18-2)19-14-7-4-11(5-8-14)12-3-6-13(16)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3/t10-,12+/m1/s1
InChIKeyGPOIWHBMOUJSLT-PWSUYJOCSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
CID 22765982
cis-(1R,3R)-1-amino-3-(4-methoxyphenyl)cyclopentane-1-carbonitrile;(2R,3R)-2,3-dihydroxybutanedioic acid;(3R)-3-(4-methoxyphenyl)cyclopentan-1-one
CID 162263323
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
2-[3-(4-propan-2-yloxyphenyl)cyclohexylidene]acetic acid
CID 3365020
methyl (2R)-2-[3-(1-bromoethyl)-4-chlorophenoxy]propanoate
CID 174470563
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate?
The IUPAC name of methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate (CID 15429931) is methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate is COC(=O)[C@@H](C)Oc1ccc([C@H]2CCC(=O)C2)cc1.
What is the InChIKey of methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate?
The InChIKey is GPOIWHBMOUJSLT-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H18O4/c1-10(15(17)18-2)19-14-7-4-11(5-8-14)12-3-6-13(16)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate?
methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate has a molecular weight of 262.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[(1S)-3-oxocyclopentyl]phenoxy]propanoate is sourced from PubChem (CID 15429931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).