1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one

C13H16ClNO3 — CID 168701877

IUPAC1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one
SMILESCC(C)Oc1ccc(N2CC(O)CC2=O)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-8(2)18-12-4-3-9(5-11(12)14)15-7-10(16)6-13(15)17/h3-5,8,10,16H,6-7H2,1-2H3
InChIKeyUZURXNKLAGNDOQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.22
Rot. Bonds3

About 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one

1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168701877) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168701877
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one
SMILESCC(C)Oc1ccc(N2CC(O)CC2=O)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-8(2)18-12-4-3-9(5-11(12)14)15-7-10(16)6-13(15)17/h3-5,8,10,16H,6-7H2,1-2H3
InChIKeyUZURXNKLAGNDOQ-UHFFFAOYSA-N
XLogP2.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702194
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one (CID 168701877) is 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one is CC(C)Oc1ccc(N2CC(O)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is UZURXNKLAGNDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8(2)18-12-4-3-9(5-11(12)14)15-7-10(16)6-13(15)17/h3-5,8,10,16H,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one?
1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 269.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).