(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone

C24H20O3 — CID 21488054

IUPAC(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone
SMILESCc1cc(C)cc(C(=O)c2c(-c3ccc(O)cc3)oc3ccc(C)cc23)c1
InChIInChI=1S/C24H20O3/c1-14-4-9-21-20(13-14)22(23(26)18-11-15(2)10-16(3)12-18)24(27-21)17-5-7-19(25)8-6-17/h4-13,25H,1-3H3
InChIKeyIYWBKLKAUGGGFZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.96
Rot. Bonds3

About (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone

(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone (PubChem CID 21488054) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone
PubChem CID21488054
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone
SMILESCc1cc(C)cc(C(=O)c2c(-c3ccc(O)cc3)oc3ccc(C)cc23)c1
InChIInChI=1S/C24H20O3/c1-14-4-9-21-20(13-14)22(23(26)18-11-15(2)10-16(3)12-18)24(27-21)17-5-7-19(25)8-6-17/h4-13,25H,1-3H3
InChIKeyIYWBKLKAUGGGFZ-UHFFFAOYSA-N
XLogP5.96
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 ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
actinium;8-methyldibenzofuran-2-ol
CID 18739071
4-[5-(hydroxymethyl)-3-methyl-1-benzofuran-2-yl]phenol
CID 14213217
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
17-methyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-5-ol
CID 144608282
4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
CID 10780577
bis(3,5-dimethylphenyl)methanone
CID 15640171
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
CID 68682648

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone (CID 21488054) is (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone is Cc1cc(C)cc(C(=O)c2c(-c3ccc(O)cc3)oc3ccc(C)cc23)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone?
The InChIKey is IYWBKLKAUGGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-14-4-9-21-20(13-14)22(23(26)18-11-15(2)10-16(3)12-18)24(27-21)17-5-7-19(25)8-6-17/h4-13,25H,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone?
(3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone has a molecular weight of 356.42 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[2-(4-hydroxyphenyl)-5-methyl-1-benzofuran-3-yl]methanone is sourced from PubChem (CID 21488054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).