[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol

C16H17NO3 — CID 104768743

IUPAC[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCC2CCOc3ccccc32)cn1
InChIInChI=1S/C16H17NO3/c18-10-13-5-6-14(9-17-13)20-11-12-7-8-19-16-4-2-1-3-15(12)16/h1-6,9,12,18H,7-8,10-11H2
InChIKeyJWIBRLUSEFQDIU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.52
Rot. Bonds4

About [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol

[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol (PubChem CID 104768743) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
PubChem CID104768743
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCC2CCOc3ccccc32)cn1
InChIInChI=1S/C16H17NO3/c18-10-13-5-6-14(9-17-13)20-11-12-7-8-19-16-4-2-1-3-15(12)16/h1-6,9,12,18H,7-8,10-11H2
InChIKeyJWIBRLUSEFQDIU-UHFFFAOYSA-N
XLogP2.52
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
CID 104770648
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol (CID 104768743) is [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol is OCc1ccc(OCC2CCOc3ccccc32)cn1.
What is the InChIKey of [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol?
The InChIKey is JWIBRLUSEFQDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-10-13-5-6-14(9-17-13)20-11-12-7-8-19-16-4-2-1-3-15(12)16/h1-6,9,12,18H,7-8,10-11H2.
What are the key properties of [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol?
[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol has a molecular weight of 271.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 104768743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).