(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C17H14O4 — CID 877207

IUPAC(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)cc1
InChIInChI=1S/C17H14O4/c1-10-16(14-9-12(18)5-8-15(14)21-10)17(19)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKeyKMKUROJUXGMWGH-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.69
Rot. Bonds3

About (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 877207) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID877207
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)cc1
InChIInChI=1S/C17H14O4/c1-10-16(14-9-12(18)5-8-15(14)21-10)17(19)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKeyKMKUROJUXGMWGH-UHFFFAOYSA-N
XLogP3.69
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 877252
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 135058545
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
(4-hydroxyphenyl)-(2-methyl-5-nitro-1-benzofuran-3-yl)methanone
CID 54199462
(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 5337702
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 71939160
CID 158215415
CID 158215415
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 877207) is (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)cc1.
What is the InChIKey of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is KMKUROJUXGMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-16(14-9-12(18)5-8-15(14)21-10)17(19)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3.
What are the key properties of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 282.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 877207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).