2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol

C17H19NO — CID 105101576

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H19NO/c1-12-7-16(11-18-10-12)17(19)9-13-5-6-14-3-2-4-15(14)8-13/h5-8,10-11,17,19H,2-4,9H2,1H3
InChIKeyLOFCVJLIUWGCNB-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.15
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol

2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 105101576) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID105101576
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H19NO/c1-12-7-16(11-18-10-12)17(19)9-13-5-6-14-3-2-4-15(14)8-13/h5-8,10-11,17,19H,2-4,9H2,1H3
InChIKeyLOFCVJLIUWGCNB-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105310749
1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195148
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791
2-(furan-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105122925
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101681
2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105152391
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803352

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol (CID 105101576) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol is Cc1cncc(C(O)Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is LOFCVJLIUWGCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-16(11-18-10-12)17(19)9-13-5-6-14-3-2-4-15(14)8-13/h5-8,10-11,17,19H,2-4,9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol?
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 253.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105101576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).