(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C18H15ClO4 — CID 7186927

IUPAC(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCc3ccc(Cl)cc3)c(C)c2c1
InChIInChI=1S/C18H15ClO4/c1-11-15-9-14(21-2)7-8-16(15)23-17(11)18(20)22-10-12-3-5-13(19)6-4-12/h3-9H,10H2,1-2H3
InChIKeyTYRBERCAZZPRPM-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.76
Rot. Bonds4

About (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7186927) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7186927
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Name(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCc3ccc(Cl)cc3)c(C)c2c1
InChIInChI=1S/C18H15ClO4/c1-11-15-9-14(21-2)7-8-16(15)23-17(11)18(20)22-10-12-3-5-13(19)6-4-12/h3-9H,10H2,1-2H3
InChIKeyTYRBERCAZZPRPM-UHFFFAOYSA-N
XLogP4.76
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186993
(6,7-dimethyl-2-oxochromen-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186889
(4-cyanophenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 4542800
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270350
propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
(4-chloronaphthalen-1-yl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7919949
(4-bromo-2-chlorophenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7934889
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55305040
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 3938686
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186827
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8852194
[2-(4-acetamidoanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270392

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7186927) is (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCc3ccc(Cl)cc3)c(C)c2c1.
What is the InChIKey of (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is TYRBERCAZZPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-11-15-9-14(21-2)7-8-16(15)23-17(11)18(20)22-10-12-3-5-13(19)6-4-12/h3-9H,10H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 330.77 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7186927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).