[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone

C22H16O4 — CID 54105837

IUPAC[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3ccccc23)cc1
InChIInChI=1S/C22H16O4/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13,23H,1H3
InChIKeyILKBMYFPAMUUMY-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.05
Rot. Bonds4

About [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone

[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 54105837) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
PubChem CID54105837
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3ccccc23)cc1
InChIInChI=1S/C22H16O4/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13,23H,1H3
InChIKeyILKBMYFPAMUUMY-UHFFFAOYSA-N
XLogP5.05
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
(4-hydroxyphenyl)-[6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 67680881
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 18318529
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
[4-[3-(diethylamino)propoxy]phenyl]-[2-(4-propoxyphenyl)-1-benzofuran-3-yl]methanone
CID 21435375
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
[4-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]-naphthalen-1-ylmethanone
CID 71769493

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone (CID 54105837) is [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3ccccc23)cc1.
What is the InChIKey of [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ILKBMYFPAMUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13,23H,1H3.
What are the key properties of [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 344.37 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 54105837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).