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

C18H16O5 — CID 877252

IUPAC(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)c(OC)c1
InChIInChI=1S/C18H16O5/c1-10-17(14-8-11(19)4-7-15(14)23-10)18(20)13-6-5-12(21-2)9-16(13)22-3/h4-9,19H,1-3H3
InChIKeyAMFKGJAGBOHOBA-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.70
Rot. Bonds4

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

(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 877252) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
PubChem CID877252
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)c(OC)c1
InChIInChI=1S/C18H16O5/c1-10-17(14-8-11(19)4-7-15(14)23-10)18(20)13-6-5-12(21-2)9-16(13)22-3/h4-9,19H,1-3H3
InChIKeyAMFKGJAGBOHOBA-UHFFFAOYSA-N
XLogP3.70
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 14018362
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55792336
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
[4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
CID 6126022
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone (CID 877252) is (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone is COc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is AMFKGJAGBOHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-10-17(14-8-11(19)4-7-15(14)23-10)18(20)13-6-5-12(21-2)9-16(13)22-3/h4-9,19H,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone?
(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 312.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 877252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).