3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol

C17H14ClNO — CID 68911432

IUPAC3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(c2c[nH]c3ccc(Cl)cc23)c2ccccc21
InChIInChI=1S/C17H14ClNO/c18-10-5-6-16-14(7-10)15(9-19-16)13-8-17(20)12-4-2-1-3-11(12)13/h1-7,9,13,17,19-20H,8H2
InChIKeyOGSCMRBYPROQIK-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.39
Rot. Bonds1

About 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol

3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 68911432) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID68911432
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(c2c[nH]c3ccc(Cl)cc23)c2ccccc21
InChIInChI=1S/C17H14ClNO/c18-10-5-6-16-14(7-10)15(9-19-16)13-8-17(20)12-4-2-1-3-11(12)13/h1-7,9,13,17,19-20H,8H2
InChIKeyOGSCMRBYPROQIK-UHFFFAOYSA-N
XLogP4.39
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol (CID 68911432) is 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol is OC1CC(c2c[nH]c3ccc(Cl)cc23)c2ccccc21.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OGSCMRBYPROQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-10-5-6-16-14(7-10)15(9-19-16)13-8-17(20)12-4-2-1-3-11(12)13/h1-7,9,13,17,19-20H,8H2.
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol?
3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 283.76 g/mol, XLogP of 4.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 68911432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).