5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol

C17H14Cl2O3 — CID 14570890

IUPAC5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)cc(Cl)c(O)c3c2C)cc1
InChIInChI=1S/C17H14Cl2O3/c1-9-14(7-10-3-5-11(21-2)6-4-10)22-17-13(19)8-12(18)16(20)15(9)17/h3-6,8,20H,7H2,1-2H3
InChIKeyLLOMWHDIOREQTQ-UHFFFAOYSA-N
MW337.20 g/mol
LogP5.35
Rot. Bonds3

About 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol

5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (PubChem CID 14570890) has the molecular formula C17H14Cl2O3 and a molecular weight of 337.20 g/mol. Its IUPAC name is 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
PubChem CID14570890
Molecular FormulaC17H14Cl2O3
Molecular Weight337.20 g/mol
Exact Mass336.03
IUPAC Name5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)cc(Cl)c(O)c3c2C)cc1
InChIInChI=1S/C17H14Cl2O3/c1-9-14(7-10-3-5-11(21-2)6-4-10)22-17-13(19)8-12(18)16(20)15(9)17/h3-6,8,20H,7H2,1-2H3
InChIKeyLLOMWHDIOREQTQ-UHFFFAOYSA-N
XLogP5.35
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.20
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The IUPAC name of 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (CID 14570890) is 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.
What is the SMILES notation for 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The canonical SMILES for 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is COc1ccc(Cc2oc3c(Cl)cc(Cl)c(O)c3c2C)cc1.
What is the InChIKey of 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The InChIKey is LLOMWHDIOREQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O3/c1-9-14(7-10-3-5-11(21-2)6-4-10)22-17-13(19)8-12(18)16(20)15(9)17/h3-6,8,20H,7H2,1-2H3.
What are the key properties of 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol has a molecular weight of 337.20 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).