(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol

C17H27NO3 — CID 86283734

IUPAC(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(Cc2cccc(OCCO)c2)C[C@H]1C
InChIInChI=1S/C17H27NO3/c1-13(2)17(20)12-18(10-14(17)3)11-15-5-4-6-16(9-15)21-8-7-19/h4-6,9,13-14,19-20H,7-8,10-12H2,1-3H3/t14-,17-/m1/s1
InChIKeyHTPALEZSCSULJW-RHSMWYFYSA-N
MW293.41 g/mol
LogP1.90
Rot. Bonds6

About (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol

(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 86283734) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
PubChem CID86283734
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(Cc2cccc(OCCO)c2)C[C@H]1C
InChIInChI=1S/C17H27NO3/c1-13(2)17(20)12-18(10-14(17)3)11-15-5-4-6-16(9-15)21-8-7-19/h4-6,9,13-14,19-20H,7-8,10-12H2,1-3H3/t14-,17-/m1/s1
InChIKeyHTPALEZSCSULJW-RHSMWYFYSA-N
XLogP1.90
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
CID 25037634
2-[3-[[(1S,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]phenoxy]ethanol
CID 70731413
(3aR,9bR)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 72855391
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156656
(3aR,7aS)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138387669
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45226674
2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
CID 74233599
2-[3-[[(3R,3aS,6aR)-2-methyl-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]ethanol;dihydrochloride
CID 171330719
3-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97197480
[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921720

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol (CID 86283734) is (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol is CC(C)[C@]1(O)CN(Cc2cccc(OCCO)c2)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is HTPALEZSCSULJW-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)17(20)12-18(10-14(17)3)11-15-5-4-6-16(9-15)21-8-7-19/h4-6,9,13-14,19-20H,7-8,10-12H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 86283734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).