3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one

C17H14O3 — CID 10355547

IUPAC3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
SMILESCc1ccc(O)c(Cc2cc3ccccc3oc2=O)c1
InChIInChI=1S/C17H14O3/c1-11-6-7-15(18)13(8-11)10-14-9-12-4-2-3-5-16(12)20-17(14)19/h2-9,18H,10H2,1H3
InChIKeyYHKAOUHYXOUTGC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.40
Rot. Bonds2

About 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one

3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one (PubChem CID 10355547) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
PubChem CID10355547
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
SMILESCc1ccc(O)c(Cc2cc3ccccc3oc2=O)c1
InChIInChI=1S/C17H14O3/c1-11-6-7-15(18)13(8-11)10-14-9-12-4-2-3-5-16(12)20-17(14)19/h2-9,18H,10H2,1H3
InChIKeyYHKAOUHYXOUTGC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)chromen-2-one
CID 22921481
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
acetic acid;3-(hydroxymethyl)chromen-2-one
CID 174966490
3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
CID 132548906
dihydroxy(oxo)phosphanium;3-methylchromen-2-one
CID 175149371
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
3-(2-bromoethyl)chromen-2-one;methanamine
CID 175061055
3-[(3-bromo-5-chloro-4-hydroxyphenyl)methyl]chromen-2-one
CID 10338879
3-(2-hydroxyphenyl)-7-methylchromen-2-one
CID 164686833
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one
CID 152720481

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one?
The IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one (CID 10355547) is 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one.
What is the SMILES notation for 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one?
The canonical SMILES for 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one is Cc1ccc(O)c(Cc2cc3ccccc3oc2=O)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one?
The InChIKey is YHKAOUHYXOUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-6-7-15(18)13(8-11)10-14-9-12-4-2-3-5-16(12)20-17(14)19/h2-9,18H,10H2,1H3.
What are the key properties of 3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one?
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-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-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one is sourced from PubChem (CID 10355547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).