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

C17H15ClO3 — CID 14570900

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
InChIInChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3
InChIKeyBNMUOPQIDQSEFF-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.70
Rot. Bonds3

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

7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (PubChem CID 14570900) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
PubChem CID14570900
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
InChIInChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3
InChIKeyBNMUOPQIDQSEFF-UHFFFAOYSA-N
XLogP4.70
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.70
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-methyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (CID 14570900) is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is COc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The InChIKey is BNMUOPQIDQSEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol has a molecular weight of 302.76 g/mol, XLogP of 4.70, 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-methyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).