3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol

C18H15NO2 — CID 54138881

IUPAC3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol
SMILESCOc1ccc2c(c1)C(c1c(O)[nH]c3ccccc13)=CC2
InChIInChI=1S/C18H15NO2/c1-21-12-8-6-11-7-9-13(15(11)10-12)17-14-4-2-3-5-16(14)19-18(17)20/h2-6,8-10,19-20H,7H2,1H3
InChIKeyNZRJWGRUZXTBND-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.87
Rot. Bonds2

About 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol

3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol (PubChem CID 54138881) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol
PubChem CID54138881
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol
SMILESCOc1ccc2c(c1)C(c1c(O)[nH]c3ccccc13)=CC2
InChIInChI=1S/C18H15NO2/c1-21-12-8-6-11-7-9-13(15(11)10-12)17-14-4-2-3-5-16(14)19-18(17)20/h2-6,8-10,19-20H,7H2,1H3
InChIKeyNZRJWGRUZXTBND-UHFFFAOYSA-N
XLogP3.87
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol?
The IUPAC name of 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol (CID 54138881) is 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol is COc1ccc2c(c1)C(c1c(O)[nH]c3ccccc13)=CC2.
What is the InChIKey of 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol?
The InChIKey is NZRJWGRUZXTBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-12-8-6-11-7-9-13(15(11)10-12)17-14-4-2-3-5-16(14)19-18(17)20/h2-6,8-10,19-20H,7H2,1H3.
What are the key properties of 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol?
3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol has a molecular weight of 277.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3H-inden-1-yl)-1H-indol-2-ol is sourced from PubChem (CID 54138881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).