2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol

C19H21NO3 — CID 175599044

IUPAC2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol
SMILESCOc1ccc(C(C)Oc2ccc3ccn(CCO)c3c2)cc1
InChIInChI=1S/C19H21NO3/c1-14(15-3-6-17(22-2)7-4-15)23-18-8-5-16-9-10-20(11-12-21)19(16)13-18/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyVMLZRXSRSXOEKS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.78
Rot. Bonds6

About 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol

2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol (PubChem CID 175599044) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol
PubChem CID175599044
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol
SMILESCOc1ccc(C(C)Oc2ccc3ccn(CCO)c3c2)cc1
InChIInChI=1S/C19H21NO3/c1-14(15-3-6-17(22-2)7-4-15)23-18-8-5-16-9-10-20(11-12-21)19(16)13-18/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyVMLZRXSRSXOEKS-UHFFFAOYSA-N
XLogP3.78
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
6-(4-methoxyphenyl)-1-propylindole
CID 91452134
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
2-(5,6-dimethylindol-1-yl)ethanol
CID 83944319
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
[1-(2-aminopropyl)indol-6-yl] methyl carbonate
CID 70252025
1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
CID 141163156
[5-hydroxy-1-(2-hydroxyethyl)indol-6-yl]boronic acid
CID 68542310
3-(5-methoxyindol-1-yl)propanamide
CID 116619447

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol?
The IUPAC name of 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol (CID 175599044) is 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol.
What is the SMILES notation for 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol?
The canonical SMILES for 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol is COc1ccc(C(C)Oc2ccc3ccn(CCO)c3c2)cc1.
What is the InChIKey of 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol?
The InChIKey is VMLZRXSRSXOEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(15-3-6-17(22-2)7-4-15)23-18-8-5-16-9-10-20(11-12-21)19(16)13-18/h3-10,13-14,21H,11-12H2,1-2H3.
What are the key properties of 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol?
2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol has a molecular weight of 311.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol is sourced from PubChem (CID 175599044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).