3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one

C18H18O5 — CID 134937765

IUPAC3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(C)c(OC)c(C2OC(=O)c3cccc(OC)c32)c1
InChIInChI=1S/C18H18O5/c1-10-8-11(20-2)9-13(16(10)22-4)17-15-12(18(19)23-17)6-5-7-14(15)21-3/h5-9,17H,1-4H3
InChIKeyBKLNWXPJIYWVMQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.28
Rot. Bonds4

About 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one

3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one (PubChem CID 134937765) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
PubChem CID134937765
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
SMILESCOc1cc(C)c(OC)c(C2OC(=O)c3cccc(OC)c32)c1
InChIInChI=1S/C18H18O5/c1-10-8-11(20-2)9-13(16(10)22-4)17-15-12(18(19)23-17)6-5-7-14(15)21-3/h5-9,17H,1-4H3
InChIKeyBKLNWXPJIYWVMQ-UHFFFAOYSA-N
XLogP3.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-2,5-dimethoxyphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937764
3-(2,5-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
CID 13448509
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
4,6-dimethoxy-3-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzofuran-1-one
CID 74076226
methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate
CID 5324642
4-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-methyl-1,2-dihydropyrazol-3-one
CID 40920868
3-(4-bromophenyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
CID 102369605
1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
CID 139864325
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 2293398

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one (CID 134937765) is 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one is COc1cc(C)c(OC)c(C2OC(=O)c3cccc(OC)c32)c1.
What is the InChIKey of 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one?
The InChIKey is BKLNWXPJIYWVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-10-8-11(20-2)9-13(16(10)22-4)17-15-12(18(19)23-17)6-5-7-14(15)21-3/h5-9,17H,1-4H3.
What are the key properties of 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one?
3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one has a molecular weight of 314.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 134937765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).