[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol

C16H21ClN2O2 — CID 171080024

IUPAC[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc2[nH]c(Cl)c(CCN3CCCC3CO)c12
InChIInChI=1S/C16H21ClN2O2/c1-21-14-6-2-5-13-15(14)12(16(17)18-13)7-9-19-8-3-4-11(19)10-20/h2,5-6,11,18,20H,3-4,7-10H2,1H3
InChIKeyIZEPHRSMSBDGTJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.83
Rot. Bonds5

About [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol

[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 171080024) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID171080024
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc2[nH]c(Cl)c(CCN3CCCC3CO)c12
InChIInChI=1S/C16H21ClN2O2/c1-21-14-6-2-5-13-15(14)12(16(17)18-13)7-9-19-8-3-4-11(19)10-20/h2,5-6,11,18,20H,3-4,7-10H2,1H3
InChIKeyIZEPHRSMSBDGTJ-UHFFFAOYSA-N
XLogP2.83
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol (CID 171080024) is [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol is COc1cccc2[nH]c(Cl)c(CCN3CCCC3CO)c12.
What is the InChIKey of [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is IZEPHRSMSBDGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-14-6-2-5-13-15(14)12(16(17)18-13)7-9-19-8-3-4-11(19)10-20/h2,5-6,11,18,20H,3-4,7-10H2,1H3.
What are the key properties of [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
[1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 308.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-chloro-4-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 171080024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).