(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone

C15H21NO3 — CID 112696542

IUPAC(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc(OC)c(O)c2)C1
InChIInChI=1S/C15H21NO3/c1-3-4-11-7-8-16(10-11)15(18)12-5-6-14(19-2)13(17)9-12/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
InChIKeyVUWJMPMXBHGSBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds4

About (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone

(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 112696542) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID112696542
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc(OC)c(O)c2)C1
InChIInChI=1S/C15H21NO3/c1-3-4-11-7-8-16(10-11)15(18)12-5-6-14(19-2)13(17)9-12/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
InChIKeyVUWJMPMXBHGSBI-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732941
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615300
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(3-bromo-4-methoxyphenyl)-(4-propylazepan-1-yl)methanone
CID 62078417
(3-hydroxy-4-methoxyphenyl)-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 56872600
(3-hydroxy-4-methoxyphenyl)-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 95552525

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone (CID 112696542) is (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2ccc(OC)c(O)c2)C1.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is VUWJMPMXBHGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-4-11-7-8-16(10-11)15(18)12-5-6-14(19-2)13(17)9-12/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone?
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112696542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).