1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one

C16H23NO3 — CID 81133458

IUPAC1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCOc1cccc(C(O)CN2CCCC2CC(C)=O)c1
InChIInChI=1S/C16H23NO3/c1-12(18)9-14-6-4-8-17(14)11-16(19)13-5-3-7-15(10-13)20-2/h3,5,7,10,14,16,19H,4,6,8-9,11H2,1-2H3
InChIKeyRTVGEKZBIYTNSU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds6

About 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one

1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 81133458) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
PubChem CID81133458
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCOc1cccc(C(O)CN2CCCC2CC(C)=O)c1
InChIInChI=1S/C16H23NO3/c1-12(18)9-14-6-4-8-17(14)11-16(19)13-5-3-7-15(10-13)20-2/h3,5,7,10,14,16,19H,4,6,8-9,11H2,1-2H3
InChIKeyRTVGEKZBIYTNSU-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
1-(3-methoxyphenyl)-2-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111489071
N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 111380972
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197650
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one (CID 81133458) is 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one is COc1cccc(C(O)CN2CCCC2CC(C)=O)c1.
What is the InChIKey of 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is RTVGEKZBIYTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)9-14-6-4-8-17(14)11-16(19)13-5-3-7-15(10-13)20-2/h3,5,7,10,14,16,19H,4,6,8-9,11H2,1-2H3.
What are the key properties of 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 81133458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).