(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C19H18O5 — CID 18098570

IUPAC(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2cccc(OC)c2)oc2ccccc12
InChIInChI=1S/C19H18O5/c1-21-12-16-15-8-3-4-9-17(15)24-18(16)19(20)23-11-13-6-5-7-14(10-13)22-2/h3-10H,11-12H2,1-2H3
InChIKeyRELNYRRJOFMDRT-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.94
Rot. Bonds6

About (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 18098570) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID18098570
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2cccc(OC)c2)oc2ccccc12
InChIInChI=1S/C19H18O5/c1-21-12-16-15-8-3-4-9-17(15)24-18(16)19(20)23-11-13-6-5-7-14(10-13)22-2/h3-10H,11-12H2,1-2H3
InChIKeyRELNYRRJOFMDRT-UHFFFAOYSA-N
XLogP3.94
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8858351
(7-methoxy-2-oxochromen-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551106
2-(4-methoxyphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550808
[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961172
(3-nitrophenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 3908224
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551642
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
(3-nitrophenyl)methyl 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55312482
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573803
2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550802
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 18098570) is (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCc2cccc(OC)c2)oc2ccccc12.
What is the InChIKey of (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is RELNYRRJOFMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-21-12-16-15-8-3-4-9-17(15)24-18(16)19(20)23-11-13-6-5-7-14(10-13)22-2/h3-10H,11-12H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 18098570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).