1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

C20H22N2O2 — CID 167953690

IUPAC1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc(C2CC(O)CN2Cc2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H22N2O2/c1-24-17-6-2-4-14(10-17)20-11-16(23)13-22(20)12-15-5-3-7-19-18(15)8-9-21-19/h2-10,16,20-21,23H,11-13H2,1H3
InChIKeyRCAWTPYNQNSKBM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.48
Rot. Bonds4

About 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 167953690) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID167953690
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc(C2CC(O)CN2Cc2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H22N2O2/c1-24-17-6-2-4-14(10-17)20-11-16(23)13-22(20)12-15-5-3-7-19-18(15)8-9-21-19/h2-10,16,20-21,23H,11-13H2,1H3
InChIKeyRCAWTPYNQNSKBM-UHFFFAOYSA-N
XLogP3.48
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350021
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
4-fluoro-2-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128965761
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3S,5R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481070
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964281
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 100736817

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 167953690) is 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is COc1cccc(C2CC(O)CN2Cc2cccc3[nH]ccc23)c1.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is RCAWTPYNQNSKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-17-6-2-4-14(10-17)20-11-16(23)13-22(20)12-15-5-3-7-19-18(15)8-9-21-19/h2-10,16,20-21,23H,11-13H2,1H3.
What are the key properties of 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 322.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 167953690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).