2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol

C18H21NO3 — CID 139816614

IUPAC2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol
SMILESCOc1ccc(C2(c3ccccc3O)CCNC2)cc1OC
InChIInChI=1S/C18H21NO3/c1-21-16-8-7-13(11-17(16)22-2)18(9-10-19-12-18)14-5-3-4-6-15(14)20/h3-8,11,19-20H,9-10,12H2,1-2H3
InChIKeyXSNLAZUSENUEDR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.69
Rot. Bonds4

About 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol

2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol (PubChem CID 139816614) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol
PubChem CID139816614
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol
SMILESCOc1ccc(C2(c3ccccc3O)CCNC2)cc1OC
InChIInChI=1S/C18H21NO3/c1-21-16-8-7-13(11-17(16)22-2)18(9-10-19-12-18)14-5-3-4-6-15(14)20/h3-8,11,19-20H,9-10,12H2,1-2H3
InChIKeyXSNLAZUSENUEDR-UHFFFAOYSA-N
XLogP2.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol
CID 139959756
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914766
3-(3,4-dimethoxyphenyl)-1,1-dioxothiolan-3-ol
CID 55159886
1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914854
(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
CID 167316365
4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
CID 18623234
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
CID 90695133
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
4-(3-methoxy-4-phenylphenyl)piperidin-4-ol
CID 139901331
2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 101455573

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol (CID 139816614) is 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol is COc1ccc(C2(c3ccccc3O)CCNC2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol?
The InChIKey is XSNLAZUSENUEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-8-7-13(11-17(16)22-2)18(9-10-19-12-18)14-5-3-4-6-15(14)20/h3-8,11,19-20H,9-10,12H2,1-2H3.
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol?
2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol has a molecular weight of 299.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol is sourced from PubChem (CID 139816614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).