1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol

C14H21NO3 — CID 103536862

IUPAC1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
SMILESCOc1cccc(C(O)CN2CCC(OC)C2)c1
InChIInChI=1S/C14H21NO3/c1-17-12-5-3-4-11(8-12)14(16)10-15-7-6-13(9-15)18-2/h3-5,8,13-14,16H,6-7,9-10H2,1-2H3
InChIKeyLIHQQHLASGMKFL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.45
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol

1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol (PubChem CID 103536862) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
PubChem CID103536862
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
SMILESCOc1cccc(C(O)CN2CCC(OC)C2)c1
InChIInChI=1S/C14H21NO3/c1-17-12-5-3-4-11(8-12)14(16)10-15-7-6-13(9-15)18-2/h3-5,8,13-14,16H,6-7,9-10H2,1-2H3
InChIKeyLIHQQHLASGMKFL-UHFFFAOYSA-N
XLogP1.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 111381841
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
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
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965538
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol (CID 103536862) is 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol is COc1cccc(C(O)CN2CCC(OC)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol?
The InChIKey is LIHQQHLASGMKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-12-5-3-4-11(8-12)14(16)10-15-7-6-13(9-15)18-2/h3-5,8,13-14,16H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol?
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.45, 5 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-methoxypyrrolidin-1-yl)ethanol is sourced from PubChem (CID 103536862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).