(2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone

C17H17NO3 — CID 15942105

IUPAC(2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC1c1ccccc1
InChIInChI=1S/C17H17NO3/c19-13-8-9-14(16(20)11-13)17(21)18-10-4-7-15(18)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,19-20H,4,7,10H2
InChIKeyGYPWCDPKRQPQFU-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds2

About (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone

(2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 15942105) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID15942105
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC1c1ccccc1
InChIInChI=1S/C17H17NO3/c19-13-8-9-14(16(20)11-13)17(21)18-10-4-7-15(18)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,19-20H,4,7,10H2
InChIKeyGYPWCDPKRQPQFU-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Onalespib
CID 11955716
2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide
CID 90408
4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)-6-(1-Methylethyl)benzene-1,3-Diol
CID 11849171
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CID 25058141
4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)benzene-1,3-Diol
CID 11955507
1,3-Dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
CID 11955555
1,3-Dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
CID 11955467
(5-Tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 11955553
(2,4-Dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone
CID 11955557
(2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-hydroxy-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone
CID 11955673
(5-Ethyl-2,4-dihydroxyphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
CID 129121199
N-(2-Hydroxybenzoyl)pyrrolidine
CID 225361

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 15942105) is (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1ccc(O)cc1O)N1CCCC1c1ccccc1.
What is the InChIKey of (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is GYPWCDPKRQPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-13-8-9-14(16(20)11-13)17(21)18-10-4-7-15(18)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,19-20H,4,7,10H2.
What are the key properties of (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
(2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 15942105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).