2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C15H20ClNO3 — CID 110023582

IUPAC2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(C(C)O)C2)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(18)12-5-6-17(9-12)15(19)7-11-3-4-13(20-2)8-14(11)16/h3-4,8,10,12,18H,5-7,9H2,1-2H3
InChIKeyKGYZNOYOASMIOU-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 110023582) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID110023582
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(C(C)O)C2)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(18)12-5-6-17(9-12)15(19)7-11-3-4-13(20-2)8-14(11)16/h3-4,8,10,12,18H,5-7,9H2,1-2H3
InChIKeyKGYZNOYOASMIOU-UHFFFAOYSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686069
2-(2-chloro-4-nitrophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026527
1-[4-[2-(2-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800357
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353
2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 71918620
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)butan-1-one
CID 110023554
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 115966082
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 110023582) is 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(C(C)O)C2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KGYZNOYOASMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(18)12-5-6-17(9-12)15(19)7-11-3-4-13(20-2)8-14(11)16/h3-4,8,10,12,18H,5-7,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).