1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol

C23H29NO3 — CID 59960731

IUPAC1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc([C@@H]2CNC[C@@]2(C)C(C)O)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C23H29NO3/c1-15(25)23(2)14-24-13-20(23)18-8-9-21(26-3)22(12-18)27-19-10-16-6-4-5-7-17(16)11-19/h4-9,12,15,19-20,24-25H,10-11,13-14H2,1-3H3/t15?,20-,23-/m0/s1
InChIKeyQOSXTLPRZZTOSE-XHTQRAPHSA-N
MW367.49 g/mol
LogP3.32
Rot. Bonds5

About 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol

1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol (PubChem CID 59960731) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol
PubChem CID59960731
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc([C@@H]2CNC[C@@]2(C)C(C)O)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C23H29NO3/c1-15(25)23(2)14-24-13-20(23)18-8-9-21(26-3)22(12-18)27-19-10-16-6-4-5-7-17(16)11-19/h4-9,12,15,19-20,24-25H,10-11,13-14H2,1-3H3/t15?,20-,23-/m0/s1
InChIKeyQOSXTLPRZZTOSE-XHTQRAPHSA-N
XLogP3.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 69414823
(1R)-1-[(3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 141044567
(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol
CID 69415318
methyl (3R)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-[(1S)-1-hydroxyethyl]-3-methylpyrrolidine-1-carboxylate
CID 58594698
2-amino-1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]ethanone
CID 10180714
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
benzyl N-[2-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-[(1R)-1-hydroxyethyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 10303060
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one
CID 14010200
methyl 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(2-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate
CID 70159172
1-[(3S,4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 59960710
3-amino-1-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 22246448
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]benzamide
CID 10594629

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol (CID 59960731) is 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol is COc1ccc([C@@H]2CNC[C@@]2(C)C(C)O)cc1OC1Cc2ccccc2C1.
What is the InChIKey of 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol?
The InChIKey is QOSXTLPRZZTOSE-XHTQRAPHSA-N. The full InChI is InChI=1S/C23H29NO3/c1-15(25)23(2)14-24-13-20(23)18-8-9-21(26-3)22(12-18)27-19-10-16-6-4-5-7-17(16)11-19/h4-9,12,15,19-20,24-25H,10-11,13-14H2,1-3H3/t15?,20-,23-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol?
1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol has a molecular weight of 367.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 59960731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).