3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride

C19H20ClNO — CID 159145522

IUPAC3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride
SMILESCC1(C)c2ccccc2NC1C1=CCc2ccc(O)cc21.Cl
InChIInChI=1S/C19H19NO.ClH/c1-19(2)16-5-3-4-6-17(16)20-18(19)14-10-8-12-7-9-13(21)11-15(12)14;/h3-7,9-11,18,20-21H,8H2,1-2H3;1H
InChIKeyRJTGEMKLOWCEGI-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.53
Rot. Bonds1

About 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride (PubChem CID 159145522) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride
PubChem CID159145522
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride
SMILESCC1(C)c2ccccc2NC1C1=CCc2ccc(O)cc21.Cl
InChIInChI=1S/C19H19NO.ClH/c1-19(2)16-5-3-4-6-17(16)20-18(19)14-10-8-12-7-9-13(21)11-15(12)14;/h3-7,9-11,18,20-21H,8H2,1-2H3;1H
InChIKeyRJTGEMKLOWCEGI-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride?
The IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride (CID 159145522) is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride.
What is the SMILES notation for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride?
The canonical SMILES for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride is CC1(C)c2ccccc2NC1C1=CCc2ccc(O)cc21.Cl.
What is the InChIKey of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride?
The InChIKey is RJTGEMKLOWCEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c1-19(2)16-5-3-4-6-17(16)20-18(19)14-10-8-12-7-9-13(21)11-15(12)14;/h3-7,9-11,18,20-21H,8H2,1-2H3;1H.
What are the key properties of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride?
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride is sourced from PubChem (CID 159145522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).