4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol

C16H17NO2 — CID 112650653

IUPAC4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCc1cccnc1COc1cccc2c1CCC2O
InChIInChI=1S/C16H17NO2/c1-11-4-3-9-17-14(11)10-19-16-6-2-5-12-13(16)7-8-15(12)18/h2-6,9,15,18H,7-8,10H2,1H3
InChIKeyVJKCSRWAWJSXKS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.95
Rot. Bonds3

About 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol

4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 112650653) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID112650653
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCc1cccnc1COc1cccc2c1CCC2O
InChIInChI=1S/C16H17NO2/c1-11-4-3-9-17-14(11)10-19-16-6-2-5-12-13(16)7-8-15(12)18/h2-6,9,15,18H,7-8,10H2,1H3
InChIKeyVJKCSRWAWJSXKS-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
2-[3-(Pyridin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349154
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554709
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554773
2-[3-Fluoro-5-(3-pyridin-2-ylprop-2-ynoxy)phenyl]butane-1,2-diol
CID 44416124
(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 127043691
2-[[4-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145979484
8-Methoxy-3-(4-pyridin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 155542668
2-((2-(3-Methoxyphenethyl)phenoxy)methyl)pyridine
CID 11973925

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 112650653) is 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol is Cc1cccnc1COc1cccc2c1CCC2O.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VJKCSRWAWJSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-3-9-17-14(11)10-19-16-6-2-5-12-13(16)7-8-15(12)18/h2-6,9,15,18H,7-8,10H2,1H3.
What are the key properties of 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 112650653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).