3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol

C16H17NO2 — CID 105120022

IUPAC3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)C2OCCc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c1-11-8-13(10-17-9-11)15(18)16-14-5-3-2-4-12(14)6-7-19-16/h2-5,8-10,15-16,18H,6-7H2,1H3
InChIKeyWOZFMRZTQBHQLS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.74
Rot. Bonds2

About 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol

3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol (PubChem CID 105120022) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
PubChem CID105120022
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)C2OCCc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c1-11-8-13(10-17-9-11)15(18)16-14-5-3-2-4-12(14)6-7-19-16/h2-5,8-10,15-16,18H,6-7H2,1H3
InChIKeyWOZFMRZTQBHQLS-UHFFFAOYSA-N
XLogP2.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105133287
3,4-dihydro-1H-isochromen-1-yl-(3-methylphenyl)methanamine
CID 105090457
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanone
CID 105122850
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
N-[3,4-dihydro-1H-isochromen-1-yl(pyrimidin-5-yl)methyl]ethanamine
CID 105118645
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 114982671
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979
[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305603
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
CID 105120750
(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol
CID 115374196

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol (CID 105120022) is 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)C2OCCc3ccccc32)c1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol?
The InChIKey is WOZFMRZTQBHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-8-13(10-17-9-11)15(18)16-14-5-3-2-4-12(14)6-7-19-16/h2-5,8-10,15-16,18H,6-7H2,1H3.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol?
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol has a molecular weight of 255.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 105120022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).