[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone

C15H18ClNO4 — CID 128738839

IUPAC[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone
SMILESO=C(N1CCC(Oc2ccc(Cl)cc2)C1)C1(O)CCOC1
InChIInChI=1S/C15H18ClNO4/c16-11-1-3-12(4-2-11)21-13-5-7-17(9-13)14(18)15(19)6-8-20-10-15/h1-4,13,19H,5-10H2
InChIKeyLAPQGUZPKYKKEF-UHFFFAOYSA-N
MW311.76 g/mol
LogP1.47
Rot. Bonds3

About [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone

[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone (PubChem CID 128738839) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone
PubChem CID128738839
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone
SMILESO=C(N1CCC(Oc2ccc(Cl)cc2)C1)C1(O)CCOC1
InChIInChI=1S/C15H18ClNO4/c16-11-1-3-12(4-2-11)21-13-5-7-17(9-13)14(18)15(19)6-8-20-10-15/h1-4,13,19H,5-10H2
InChIKeyLAPQGUZPKYKKEF-UHFFFAOYSA-N
XLogP1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 120928895
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
CID 166281549
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125015462
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
CID 166335700
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone?
The IUPAC name of [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone (CID 128738839) is [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone?
The canonical SMILES for [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone is O=C(N1CCC(Oc2ccc(Cl)cc2)C1)C1(O)CCOC1.
What is the InChIKey of [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone?
The InChIKey is LAPQGUZPKYKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-11-1-3-12(4-2-11)21-13-5-7-17(9-13)14(18)15(19)6-8-20-10-15/h1-4,13,19H,5-10H2.
What are the key properties of [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone?
[3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone has a molecular weight of 311.76 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)pyrrolidin-1-yl]-(3-hydroxyoxolan-3-yl)methanone is sourced from PubChem (CID 128738839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).