1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol

C20H25NO3 — CID 111436470

IUPAC1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCC(c3ccccc3OC)C2)c1
InChIInChI=1S/C20H25NO3/c1-23-17-7-5-6-15(12-17)19(22)14-21-11-10-16(13-21)18-8-3-4-9-20(18)24-2/h3-9,12,16,19,22H,10-11,13-14H2,1-2H3
InChIKeyDVEFNYNYULTJEM-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.23
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol

1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol (PubChem CID 111436470) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
PubChem CID111436470
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCC(c3ccccc3OC)C2)c1
InChIInChI=1S/C20H25NO3/c1-23-17-7-5-6-15(12-17)19(22)14-21-11-10-16(13-21)18-8-3-4-9-20(18)24-2/h3-9,12,16,19,22H,10-11,13-14H2,1-2H3
InChIKeyDVEFNYNYULTJEM-UHFFFAOYSA-N
XLogP3.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 111381841
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
CID 115666571
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol (CID 111436470) is 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol is COc1cccc(C(O)CN2CCC(c3ccccc3OC)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol?
The InChIKey is DVEFNYNYULTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-17-7-5-6-15(12-17)19(22)14-21-11-10-16(13-21)18-8-3-4-9-20(18)24-2/h3-9,12,16,19,22H,10-11,13-14H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol?
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol has a molecular weight of 327.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111436470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).