2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone

C15H21NO3 — CID 112626490

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCC(C(C)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11(17)13-7-8-16(9-13)10-15(18)12-3-5-14(19-2)6-4-12/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyMHCKXBKSJYVZCI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.58
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 112626490) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID112626490
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCC(C(C)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11(17)13-7-8-16(9-13)10-15(18)12-3-5-14(19-2)6-4-12/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyMHCKXBKSJYVZCI-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrrolidin-1-yl)-1-(4-methoxyphenyl)pentan-1-one
CID 11299968
1-(4-Methoxyphenyl)-2-piperidin-1-ylethanone;hydrobromide
CID 16196043
1-Propanone, 3-(dimethylamino)-1-(4-methoxyphenyl)-, hydrochloride (1:1)
CID 78910
4'-Methoxy-alpha-pyrrolidinopropiophenone
CID 6430836
4-Methoxy-alpha-phpp
CID 102144586
4-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-4-methyl-morpholin-4-ium
CID 9549493
2-[(Dimethylamino)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one;hydrochloride
CID 353911
1-[4-[3-(2-Methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone
CID 49836075
2-Piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 49856842
2-Morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 49857220
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 49857808
1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone
CID 49857811

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone (CID 112626490) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCC(C(C)O)C2)cc1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is MHCKXBKSJYVZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)13-7-8-16(9-13)10-15(18)12-3-5-14(19-2)6-4-12/h3-6,11,13,17H,7-10H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 112626490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).