methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate

C18H19NO3 — CID 68682512

IUPACmethyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-21-18(20)17-8-5-13-19(17)22-16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyLKBHFFOFXCYRLI-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.28
Rot. Bonds4

About methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate

methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate (PubChem CID 68682512) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate
PubChem CID68682512
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-21-18(20)17-8-5-13-19(17)22-16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyLKBHFFOFXCYRLI-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
tert-butyl 1-phenoxypiperidine-2-carboxylate
CID 173183705
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
methyl 1-[chloro(phenoxy)phosphoryl]pyrrolidine-2-carboxylate
CID 76584698
phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-[2-(2-chloro-4-phenylphenoxy)acetyl]pyrrolidine-2-carboxylate
CID 112809208
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate (CID 68682512) is methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate?
The InChIKey is LKBHFFOFXCYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-18(20)17-8-5-13-19(17)22-16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3.
What are the key properties of methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate?
methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 68682512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).