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

C18H19NO4 — CID 44590005

IUPAC(2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C18H19NO4/c1-23-17-7-3-2-5-13(17)15-6-4-10-19(15)18(22)14-9-8-12(20)11-16(14)21/h2-3,5,7-9,11,15,20-21H,4,6,10H2,1H3
InChIKeyXDUDYGMGSXALEA-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.08
Rot. Bonds3

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

(2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 44590005) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID44590005
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C18H19NO4/c1-23-17-7-3-2-5-13(17)15-6-4-10-19(15)18(22)14-9-8-12(20)11-16(14)21/h2-3,5,7-9,11,15,20-21H,4,6,10H2,1H3
InChIKeyXDUDYGMGSXALEA-UHFFFAOYSA-N
XLogP3.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 44590005) is (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1C1CCCN1C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is XDUDYGMGSXALEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-17-7-3-2-5-13(17)15-6-4-10-19(15)18(22)14-9-8-12(20)11-16(14)21/h2-3,5,7-9,11,15,20-21H,4,6,10H2,1H3.
What are the key properties of (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 313.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 44590005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).