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

C19H18O5 — CID 46226711

IUPAC(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2oc3ccccc3c2C)cc(OC)c1OC
InChIInChI=1S/C19H18O5/c1-11-13-7-5-6-8-14(13)24-18(11)17(20)12-9-15(21-2)19(23-4)16(10-12)22-3/h5-10H,1-4H3
InChIKeyPUJIYWUJKVAXMJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.00
Rot. Bonds5

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

(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 46226711) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID46226711
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2oc3ccccc3c2C)cc(OC)c1OC
InChIInChI=1S/C19H18O5/c1-11-13-7-5-6-8-14(13)24-18(11)17(20)12-9-15(21-2)19(23-4)16(10-12)22-3/h5-10H,1-4H3
InChIKeyPUJIYWUJKVAXMJ-UHFFFAOYSA-N
XLogP4.00
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 176505151
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 8778402
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 87001795
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2464234
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 46226711) is (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2oc3ccccc3c2C)cc(OC)c1OC.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PUJIYWUJKVAXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-11-13-7-5-6-8-14(13)24-18(11)17(20)12-9-15(21-2)19(23-4)16(10-12)22-3/h5-10H,1-4H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 326.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 46226711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).