2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol

C15H15NO — CID 10242773

IUPAC2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CC(Cc1ccncc1)C2
InChIInChI=1S/C15H15NO/c17-15-3-1-2-13-9-12(10-14(13)15)8-11-4-6-16-7-5-11/h1-7,12,17H,8-10H2
InChIKeyHMFZHKWCZQZHQP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.74
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol

2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol (PubChem CID 10242773) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol
PubChem CID10242773
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CC(Cc1ccncc1)C2
InChIInChI=1S/C15H15NO/c17-15-3-1-2-13-9-12(10-14(13)15)8-11-4-6-16-7-5-11/h1-7,12,17H,8-10H2
InChIKeyHMFZHKWCZQZHQP-UHFFFAOYSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol (CID 10242773) is 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CC(Cc1ccncc1)C2.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is HMFZHKWCZQZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-3-1-2-13-9-12(10-14(13)15)8-11-4-6-16-7-5-11/h1-7,12,17H,8-10H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 225.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 10242773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).