3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one

C24H20O3 — CID 152720481

IUPAC3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one
SMILESCc1ccc(O)c(Cc2c(-c3ccccc3)oc3ccc(C)cc3c2=O)c1
InChIInChI=1S/C24H20O3/c1-15-8-10-21(25)18(12-15)14-20-23(26)19-13-16(2)9-11-22(19)27-24(20)17-6-4-3-5-7-17/h3-13,25H,14H2,1-2H3
InChIKeyZVNFCKNKEHBQKT-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.37
Rot. Bonds3

About 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one

3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one (PubChem CID 152720481) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one
PubChem CID152720481
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one
SMILESCc1ccc(O)c(Cc2c(-c3ccccc3)oc3ccc(C)cc3c2=O)c1
InChIInChI=1S/C24H20O3/c1-15-8-10-21(25)18(12-15)14-20-23(26)19-13-16(2)9-11-22(19)27-24(20)17-6-4-3-5-7-17/h3-13,25H,14H2,1-2H3
InChIKeyZVNFCKNKEHBQKT-UHFFFAOYSA-N
XLogP5.37
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride
CID 16813410
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
2-methyl-7-phenylxanthen-9-one
CID 123326805
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
CID 10355547
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
5-methyl-3-phenyl-1-benzofuran-2-ol
CID 162399552

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one?
The IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one (CID 152720481) is 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one?
The canonical SMILES for 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one is Cc1ccc(O)c(Cc2c(-c3ccccc3)oc3ccc(C)cc3c2=O)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one?
The InChIKey is ZVNFCKNKEHBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-15-8-10-21(25)18(12-15)14-20-23(26)19-13-16(2)9-11-22(19)27-24(20)17-6-4-3-5-7-17/h3-13,25H,14H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one?
3-[(2-hydroxy-5-methylphenyl)methyl]-6-methyl-2-phenylchromen-4-one has a molecular weight of 356.42 g/mol, XLogP of 5.37, 3 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]-6-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 152720481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).