1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one

C15H21NO3 — CID 143075313

IUPAC1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@@H]2C[C@H](OC)CN2)cc1
InChIInChI=1S/C15H21NO3/c1-3-15(17)11-4-6-13(7-5-11)19-10-12-8-14(18-2)9-16-12/h4-7,12,14,16H,3,8-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyARJSYCOMBGFBBW-JSGCOSHPSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds6

About 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one

1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one (PubChem CID 143075313) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one
PubChem CID143075313
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@@H]2C[C@H](OC)CN2)cc1
InChIInChI=1S/C15H21NO3/c1-3-15(17)11-4-6-13(7-5-11)19-10-12-8-14(18-2)9-16-12/h4-7,12,14,16H,3,8-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyARJSYCOMBGFBBW-JSGCOSHPSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one with MolForge

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Related Compounds

4-[[(2S,4S)-4-acetyloxypyrrolidin-2-yl]methoxy]benzoate
CID 86592797
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
1-[4-[[4-(3-chloropropyl)cyclohexyl]methoxy]phenyl]propan-1-one
CID 70445084
(4-propanoylphenyl) propanoate
CID 19170728
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 22001421
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
methyl 2-[(3S,5S)-5-[[4-(4-cyanophenyl)phenoxy]methyl]pyrrolidin-3-yl]acetate
CID 22856553
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one (CID 143075313) is 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OC[C@@H]2C[C@H](OC)CN2)cc1.
What is the InChIKey of 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one?
The InChIKey is ARJSYCOMBGFBBW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-15(17)11-4-6-13(7-5-11)19-10-12-8-14(18-2)9-16-12/h4-7,12,14,16H,3,8-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one?
1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methoxy]phenyl]propan-1-one is sourced from PubChem (CID 143075313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).