4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one

C12H15NO4 — CID 72770677

IUPAC4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)CC2C(O)CO)cc1
InChIInChI=1S/C12H15NO4/c1-17-9-4-2-8(3-5-9)13-10(6-12(13)16)11(15)7-14/h2-5,10-11,14-15H,6-7H2,1H3
InChIKeyUMNVZRZEPVNONY-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.15
Rot. Bonds4

About 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one

4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 72770677) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID72770677
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)CC2C(O)CO)cc1
InChIInChI=1S/C12H15NO4/c1-17-9-4-2-8(3-5-9)13-10(6-12(13)16)11(15)7-14/h2-5,10-11,14-15H,6-7H2,1H3
InChIKeyUMNVZRZEPVNONY-UHFFFAOYSA-N
XLogP0.15
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 71082337
(4S,5R)-4-bromo-5-hydroxy-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10891443
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
4-cyclohexyl-1-(4-methoxyphenyl)azetidin-2-one
CID 10999789
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(3aS,6aS)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 8833557
5-(hydroxymethyl)-1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidin-2-one
CID 70667387
(4aR,7aS)-4-(4-methoxyphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 22690171
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one (CID 72770677) is 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)CC2C(O)CO)cc1.
What is the InChIKey of 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is UMNVZRZEPVNONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-9-4-2-8(3-5-9)13-10(6-12(13)16)11(15)7-14/h2-5,10-11,14-15H,6-7H2,1H3.
What are the key properties of 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one?
4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 72770677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).