(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one

C20H23NO2 — CID 58315799

IUPAC(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one
SMILESCO[C@H](C(=O)Cc1ccc(C2CCNC2)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-20(17-5-3-2-4-6-17)19(22)13-15-7-9-16(10-8-15)18-11-12-21-14-18/h2-10,18,20-21H,11-14H2,1H3/t18?,20-/m0/s1
InChIKeyPMTIEEGOPOENRN-IJHRGXPZSA-N
MW309.41 g/mol
LogP3.26
Rot. Bonds6

About (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one

(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one (PubChem CID 58315799) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one.

Molecular Properties

Compound Name(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one
PubChem CID58315799
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one
SMILESCO[C@H](C(=O)Cc1ccc(C2CCNC2)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-20(17-5-3-2-4-6-17)19(22)13-15-7-9-16(10-8-15)18-11-12-21-14-18/h2-10,18,20-21H,11-14H2,1H3/t18?,20-/m0/s1
InChIKeyPMTIEEGOPOENRN-IJHRGXPZSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
2-(4-pyrrolidin-3-ylphenyl)butanoic acid
CID 116988501
ethane;3-phenylpyrrolidine
CID 91032726
2-methoxy-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537685
3-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339182
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228
1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
CID 58315633
6,6,6-trifluoro-4-methyl-1-(4-pyrrolidin-3-ylphenyl)hexan-2-one
CID 159412163
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one?
The IUPAC name of (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one (CID 58315799) is (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one.
What is the SMILES notation for (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one?
The canonical SMILES for (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one is CO[C@H](C(=O)Cc1ccc(C2CCNC2)cc1)c1ccccc1.
What is the InChIKey of (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one?
The InChIKey is PMTIEEGOPOENRN-IJHRGXPZSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-20(17-5-3-2-4-6-17)19(22)13-15-7-9-16(10-8-15)18-11-12-21-14-18/h2-10,18,20-21H,11-14H2,1H3/t18?,20-/m0/s1.
What are the key properties of (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one?
(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one is sourced from PubChem (CID 58315799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).