1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one

C18H18ClNO3 — CID 26053591

IUPAC1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H18ClNO3/c1-22-17-9-4-14(19)11-13(17)12-23-16-7-5-15(6-8-16)20-10-2-3-18(20)21/h4-9,11H,2-3,10,12H2,1H3
InChIKeyXIXRTSBBOPJSAU-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.05
Rot. Bonds5

About 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one

1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 26053591) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
PubChem CID26053591
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H18ClNO3/c1-22-17-9-4-14(19)11-13(17)12-23-16-7-5-15(6-8-16)20-10-2-3-18(20)21/h4-9,11H,2-3,10,12H2,1H3
InChIKeyXIXRTSBBOPJSAU-UHFFFAOYSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 141084193
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
CID 112808160
2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
CID 26686013
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
5-chloro-2-methoxy-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551033
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
(2-bromo-4-chlorophenyl) 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 26705104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one (CID 26053591) is 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one is COc1ccc(Cl)cc1COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is XIXRTSBBOPJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-22-17-9-4-14(19)11-13(17)12-23-16-7-5-15(6-8-16)20-10-2-3-18(20)21/h4-9,11H,2-3,10,12H2,1H3.
What are the key properties of 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 331.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 26053591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).