5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride

C12H15Cl2NO3 — CID 3071824

IUPAC5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1NCCO
InChIInChI=1S/C12H14ClNO3.ClH/c13-9-3-1-8(2-4-9)11-7-10(12(16)17-11)14-5-6-15;/h1-4,10-11,14-15H,5-7H2;1H
InChIKeyULWYHKBFLSHNAZ-UHFFFAOYSA-N
MW292.16 g/mol
LogP1.70
Rot. Bonds4

About 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride

5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride (PubChem CID 3071824) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride
PubChem CID3071824
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1NCCO
InChIInChI=1S/C12H14ClNO3.ClH/c13-9-3-1-8(2-4-9)11-7-10(12(16)17-11)14-5-6-15;/h1-4,10-11,14-15H,5-7H2;1H
InChIKeyULWYHKBFLSHNAZ-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-[(3-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 54580820
(2S,4S)-4-[(4-chlorobenzyl)oxyl]-pyrrolidine-2-carboxylic acid
CID 54587696
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-((1-methylethyl)amino)-, hydrochloride
CID 3071820
5-(4-Chlorophenyl)-3-(propylamino)oxolan-2-one--hydrogen chloride (1/1)
CID 3071822
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-((3-hydroxypropyl)amino)-, hydrochloride
CID 3071826
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(1-pyrrolidinyl)-, hydrochloride
CID 3071828
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 3071830
5-(4-Chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one--hydrogen chloride (1/2)
CID 3071832
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride
CID 3071834
3-[2-(4-Chlorophenyl)morpholin-4-yl]oxolan-2-one
CID 47287542
N-(2-oxo-5-phenyloxolan-3-yl)acetamide
CID 134861792
Dihydro-5-(4-chlorophenyl)-3-(4-morpholinyl)-2(3H)-furanone hydrochloride
CID 3028404

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride (CID 3071824) is 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccc(Cl)cc2)CC1NCCO.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride?
The InChIKey is ULWYHKBFLSHNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3.ClH/c13-9-3-1-8(2-4-9)11-7-10(12(16)17-11)14-5-6-15;/h1-4,10-11,14-15H,5-7H2;1H.
What are the key properties of 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride has a molecular weight of 292.16 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-hydroxyethylamino)oxolan-2-one;hydrochloride is sourced from PubChem (CID 3071824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).