1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one

C17H17NO3 — CID 70372340

IUPAC1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one
SMILESCc1c(-c2ccccc2O)ccc(O)c1N1CCCC1=O
InChIInChI=1S/C17H17NO3/c1-11-12(13-5-2-3-6-14(13)19)8-9-15(20)17(11)18-10-4-7-16(18)21/h2-3,5-6,8-9,19-20H,4,7,10H2,1H3
InChIKeyQEQQCFGPADHYCX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.20
Rot. Bonds2

About 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one

1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one (PubChem CID 70372340) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one
PubChem CID70372340
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one
SMILESCc1c(-c2ccccc2O)ccc(O)c1N1CCCC1=O
InChIInChI=1S/C17H17NO3/c1-11-12(13-5-2-3-6-14(13)19)8-9-15(20)17(11)18-10-4-7-16(18)21/h2-3,5-6,8-9,19-20H,4,7,10H2,1H3
InChIKeyQEQQCFGPADHYCX-UHFFFAOYSA-N
XLogP3.20
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2-hydroxy-5-methylphenyl)pyrrolidin-2-one
CID 130034665
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonic acid;hydrate
CID 44659219
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
5-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrrolidin-2-one
CID 174500100
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 166167104
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one (CID 70372340) is 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one is Cc1c(-c2ccccc2O)ccc(O)c1N1CCCC1=O.
What is the InChIKey of 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one?
The InChIKey is QEQQCFGPADHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-12(13-5-2-3-6-14(13)19)8-9-15(20)17(11)18-10-4-7-16(18)21/h2-3,5-6,8-9,19-20H,4,7,10H2,1H3.
What are the key properties of 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one?
1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 70372340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).