(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol

C19H29NO3 — CID 69414823

IUPAC(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc([C@H]2CNC[C@@]2(C)[C@@H](C)O)cc1OC1CCCC1
InChIInChI=1S/C19H29NO3/c1-13(21)19(2)12-20-11-16(19)14-8-9-17(22-3)18(10-14)23-15-6-4-5-7-15/h8-10,13,15-16,20-21H,4-7,11-12H2,1-3H3/t13-,16-,19+/m1/s1
InChIKeyILYMURXQHPACDW-NRXGSXMXSA-N
MW319.45 g/mol
LogP3.09
Rot. Bonds5

About (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol

(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol (PubChem CID 69414823) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
PubChem CID69414823
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc([C@H]2CNC[C@@]2(C)[C@@H](C)O)cc1OC1CCCC1
InChIInChI=1S/C19H29NO3/c1-13(21)19(2)12-20-11-16(19)14-8-9-17(22-3)18(10-14)23-15-6-4-5-7-15/h8-10,13,15-16,20-21H,4-7,11-12H2,1-3H3/t13-,16-,19+/m1/s1
InChIKeyILYMURXQHPACDW-NRXGSXMXSA-N
XLogP3.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[(3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 141044567
1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol
CID 59960731
(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol
CID 69415318
2-amino-1-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 22246627
[(2R)-1-[(3S,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] acetate
CID 59902365
[1-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] acetate
CID 22246543
3-amino-1-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 22246448
[(2S)-1-[(3S,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] acetate
CID 10274498
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
1-[(3S,4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 59960710
3-[(3S,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]propanoic acid
CID 10178549
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol (CID 69414823) is (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol is COc1ccc([C@H]2CNC[C@@]2(C)[C@@H](C)O)cc1OC1CCCC1.
What is the InChIKey of (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol?
The InChIKey is ILYMURXQHPACDW-NRXGSXMXSA-N. The full InChI is InChI=1S/C19H29NO3/c1-13(21)19(2)12-20-11-16(19)14-8-9-17(22-3)18(10-14)23-15-6-4-5-7-15/h8-10,13,15-16,20-21H,4-7,11-12H2,1-3H3/t13-,16-,19+/m1/s1.
What are the key properties of (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol?
(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol has a molecular weight of 319.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 69414823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).