3-benzyl-7-hydroxy-2-methylchromen-4-one

C17H14O3 — CID 86159483

IUPAC3-benzyl-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1Cc1ccccc1
InChIInChI=1S/C17H14O3/c1-11-15(9-12-5-3-2-4-6-12)17(19)14-8-7-13(18)10-16(14)20-11/h2-8,10,18H,9H2,1H3
InChIKeyOIFNIJVSCXEDHL-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.40
Rot. Bonds2

About 3-benzyl-7-hydroxy-2-methylchromen-4-one

3-benzyl-7-hydroxy-2-methylchromen-4-one (PubChem CID 86159483) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-benzyl-7-hydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Name3-benzyl-7-hydroxy-2-methylchromen-4-one
PubChem CID86159483
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-benzyl-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1Cc1ccccc1
InChIInChI=1S/C17H14O3/c1-11-15(9-12-5-3-2-4-6-12)17(19)14-8-7-13(18)10-16(14)20-11/h2-8,10,18H,9H2,1H3
InChIKeyOIFNIJVSCXEDHL-UHFFFAOYSA-N
XLogP3.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
3-benzyl-2-methyl-7-pentoxychromen-4-one
CID 86159473
7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one
CID 44572773
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
3-benzyl-2-[1-[5,5-dimethyl-2-(4-methylphenyl)-4H-imidazol-3-yl]-2-methylpropyl]-7-hydroxychromen-4-one
CID 22345265
ethyl 3-(2,7-dimethyl-4-oxochromen-3-yl)propanoate;ethyl 3-(7-hydroxy-2-methyl-4-oxochromen-3-yl)propanoate;methane
CID 159885539
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 22143529
7-hydroxy-2-methyl-3-(2-phenylpyrazol-3-yl)chromen-4-one
CID 23270003

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-hydroxy-2-methylchromen-4-one?
The IUPAC name of 3-benzyl-7-hydroxy-2-methylchromen-4-one (CID 86159483) is 3-benzyl-7-hydroxy-2-methylchromen-4-one.
What is the SMILES notation for 3-benzyl-7-hydroxy-2-methylchromen-4-one?
The canonical SMILES for 3-benzyl-7-hydroxy-2-methylchromen-4-one is Cc1oc2cc(O)ccc2c(=O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-hydroxy-2-methylchromen-4-one?
The InChIKey is OIFNIJVSCXEDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-15(9-12-5-3-2-4-6-12)17(19)14-8-7-13(18)10-16(14)20-11/h2-8,10,18H,9H2,1H3.
What are the key properties of 3-benzyl-7-hydroxy-2-methylchromen-4-one?
3-benzyl-7-hydroxy-2-methylchromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-hydroxy-2-methylchromen-4-one is sourced from PubChem (CID 86159483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).