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

C19H20ClNO3 — CID 110023421

IUPAC[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C19H20ClNO3/c1-13(22)15-9-10-21(12-15)19(23)14-3-2-4-18(11-14)24-17-7-5-16(20)6-8-17/h2-8,11,13,15,22H,9-10,12H2,1H3
InChIKeyZJYBRMZGZRHCDV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.98
Rot. Bonds4

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

[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 110023421) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID110023421
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C19H20ClNO3/c1-13(22)15-9-10-21(12-15)19(23)14-3-2-4-18(11-14)24-17-7-5-16(20)6-8-17/h2-8,11,13,15,22H,9-10,12H2,1H3
InChIKeyZJYBRMZGZRHCDV-UHFFFAOYSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023340
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
(E)-3-[3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enoic acid
CID 115966680
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(8-hydroxynaphthalen-2-yl)methanone
CID 166268507
2-(3-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110023182
(2-chloro-3-fluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627294
(2-bromo-5-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022948
[3-(4-fluorophenoxy)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586932
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 110023421) is [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZJYBRMZGZRHCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13(22)15-9-10-21(12-15)19(23)14-3-2-4-18(11-14)24-17-7-5-16(20)6-8-17/h2-8,11,13,15,22H,9-10,12H2,1H3.
What are the key properties of [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 345.83 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110023421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).