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

C18H17ClO3 — CID 14570903

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)cc(C)c(O)c3c2C)cc1
InChIInChI=1S/C18H17ClO3/c1-10-8-14(19)18-16(17(10)20)11(2)15(22-18)9-12-4-6-13(21-3)7-5-12/h4-8,20H,9H2,1-3H3
InChIKeyPXTWHUATRDEHNN-UHFFFAOYSA-N
MW316.78 g/mol
LogP5.01
Rot. Bonds3

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

7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol (PubChem CID 14570903) has the molecular formula C18H17ClO3 and a molecular weight of 316.78 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol
PubChem CID14570903
Molecular FormulaC18H17ClO3
Molecular Weight316.78 g/mol
Exact Mass316.09
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)cc(C)c(O)c3c2C)cc1
InChIInChI=1S/C18H17ClO3/c1-10-8-14(19)18-16(17(10)20)11(2)15(22-18)9-12-4-6-13(21-3)7-5-12/h4-8,20H,9H2,1-3H3
InChIKeyPXTWHUATRDEHNN-UHFFFAOYSA-N
XLogP5.01
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.78
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol (CID 14570903) is 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol is COc1ccc(Cc2oc3c(Cl)cc(C)c(O)c3c2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol?
The InChIKey is PXTWHUATRDEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO3/c1-10-8-14(19)18-16(17(10)20)11(2)15(22-18)9-12-4-6-13(21-3)7-5-12/h4-8,20H,9H2,1-3H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol?
7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol has a molecular weight of 316.78 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).