(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol

C14H21NO3 — CID 113389249

IUPAC(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
SMILESCOc1cccc(N2CCC(CO)C2)c1[C@@H](C)O
InChIInChI=1S/C14H21NO3/c1-10(17)14-12(4-3-5-13(14)18-2)15-7-6-11(8-15)9-16/h3-5,10-11,16-17H,6-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyTVKIXEFPIPYSKX-NFJWQWPMSA-N
MW251.33 g/mol
LogP1.57
Rot. Bonds4

About (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol

(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol (PubChem CID 113389249) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
PubChem CID113389249
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
SMILESCOc1cccc(N2CCC(CO)C2)c1[C@@H](C)O
InChIInChI=1S/C14H21NO3/c1-10(17)14-12(4-3-5-13(14)18-2)15-7-6-11(8-15)9-16/h3-5,10-11,16-17H,6-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyTVKIXEFPIPYSKX-NFJWQWPMSA-N
XLogP1.57
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
CID 113388844
[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 64865830
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 106315535
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597981
1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol
CID 114679002
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol (CID 113389249) is (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol is COc1cccc(N2CCC(CO)C2)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol?
The InChIKey is TVKIXEFPIPYSKX-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(17)14-12(4-3-5-13(14)18-2)15-7-6-11(8-15)9-16/h3-5,10-11,16-17H,6-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol?
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol is sourced from PubChem (CID 113389249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).