2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one

C14H14O4 — CID 71683737

IUPAC2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one
SMILESCc1ccccc1COc1coc(CO)cc1=O
InChIInChI=1S/C14H14O4/c1-10-4-2-3-5-11(10)8-18-14-9-17-12(7-15)6-13(14)16/h2-6,9,15H,7-8H2,1H3
InChIKeyWAZUUOUDIRRMAL-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.02
Rot. Bonds4

About 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one

2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one (PubChem CID 71683737) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one
PubChem CID71683737
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one
SMILESCc1ccccc1COc1coc(CO)cc1=O
InChIInChI=1S/C14H14O4/c1-10-4-2-3-5-11(10)8-18-14-9-17-12(7-15)6-13(14)16/h2-6,9,15H,7-8H2,1H3
InChIKeyWAZUUOUDIRRMAL-UHFFFAOYSA-N
XLogP2.02
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethylphenyl)methoxy]-2-(hydroxymethyl)pyran-4-one
CID 79872561
2-(hydroxymethyl)-5-[(2-methyl-3-nitrophenyl)methoxy]pyran-4-one
CID 79871487
2-(hydroxymethyl)-5-(3-phenoxypropoxy)pyran-4-one
CID 79021112
2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7541783
5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one
CID 79872385
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyran-4-one
CID 4586138
2-(hydroxymethyl)-5-methylperoxypyran-4-one
CID 138581133
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 2-(2,6-dimethylphenoxy)acetate
CID 84559638
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
5-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(hydroxymethyl)pyran-4-one
CID 79869025

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one (CID 71683737) is 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one is Cc1ccccc1COc1coc(CO)cc1=O.
What is the InChIKey of 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one?
The InChIKey is WAZUUOUDIRRMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-10-4-2-3-5-11(10)8-18-14-9-17-12(7-15)6-13(14)16/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one?
2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one has a molecular weight of 246.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one is sourced from PubChem (CID 71683737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).