1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol

C17H18N2O2 — CID 117175660

IUPAC1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
SMILESCC(C)n1cc(COc2cccnc2)c2cc(O)ccc21
InChIInChI=1S/C17H18N2O2/c1-12(2)19-10-13(11-21-15-4-3-7-18-9-15)16-8-14(20)5-6-17(16)19/h3-10,12,20H,11H2,1-2H3
InChIKeyJCDVMDGBQQOENH-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.90
Rot. Bonds4

About 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol

1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol (PubChem CID 117175660) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
PubChem CID117175660
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
SMILESCC(C)n1cc(COc2cccnc2)c2cc(O)ccc21
InChIInChI=1S/C17H18N2O2/c1-12(2)19-10-13(11-21-15-4-3-7-18-9-15)16-8-14(20)5-6-17(16)19/h3-10,12,20H,11H2,1-2H3
InChIKeyJCDVMDGBQQOENH-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188
4-(pyridin-3-yloxymethyl)benzene-1,3-diol
CID 117219782
3-(phenoxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175773
1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117178708
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117185196
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
1-ethyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117179178

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol?
The IUPAC name of 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol (CID 117175660) is 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol.
What is the SMILES notation for 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol?
The canonical SMILES for 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol is CC(C)n1cc(COc2cccnc2)c2cc(O)ccc21.
What is the InChIKey of 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol?
The InChIKey is JCDVMDGBQQOENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(2)19-10-13(11-21-15-4-3-7-18-9-15)16-8-14(20)5-6-17(16)19/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol?
1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol has a molecular weight of 282.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol is sourced from PubChem (CID 117175660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).