(2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone

C19H21NO3 — CID 15940672

IUPAC(2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCC(CCc2ccccc2)C1
InChIInChI=1S/C19H21NO3/c21-16-8-9-17(18(22)12-16)19(23)20-11-10-15(13-20)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,15,21-22H,6-7,10-11,13H2
InChIKeyCDCBNXKHSVJNBC-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.19
Rot. Bonds4

About (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone

(2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 15940672) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID15940672
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCC(CCc2ccccc2)C1
InChIInChI=1S/C19H21NO3/c21-16-8-9-17(18(22)12-16)19(23)20-11-10-15(13-20)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,15,21-22H,6-7,10-11,13H2
InChIKeyCDCBNXKHSVJNBC-UHFFFAOYSA-N
XLogP3.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 15940672) is (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(O)cc1O)N1CCC(CCc2ccccc2)C1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is CDCBNXKHSVJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-16-8-9-17(18(22)12-16)19(23)20-11-10-15(13-20)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,15,21-22H,6-7,10-11,13H2.
What are the key properties of (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 15940672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).