(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

C15H21NO3 — CID 112697873

IUPAC(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCC(C(C)C)C2)c1
InChIInChI=1S/C15H21NO3/c1-10(2)11-6-7-16(9-11)15(18)13-8-12(19-3)4-5-14(13)17/h4-5,8,10-11,17H,6-7,9H2,1-3H3
InChIKeyYYWNJPLRUHNBCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.52
Rot. Bonds3

About (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 112697873) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID112697873
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCC(C(C)C)C2)c1
InChIInChI=1S/C15H21NO3/c1-10(2)11-6-7-16(9-11)15(18)13-8-12(19-3)4-5-14(13)17/h4-5,8,10-11,17H,6-7,9H2,1-3H3
InChIKeyYYWNJPLRUHNBCR-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697858
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113254113
(2-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 115869602
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(2-hydroxy-4-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79117583
(5-bromo-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023690
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 112697873) is (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is COc1ccc(O)c(C(=O)N2CCC(C(C)C)C2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is YYWNJPLRUHNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)11-6-7-16(9-11)15(18)13-8-12(19-3)4-5-14(13)17/h4-5,8,10-11,17H,6-7,9H2,1-3H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112697873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).