2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol

C15H11ClO3 — CID 117179375

IUPAC2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
SMILESOc1ccc2cc(COc3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C15H11ClO3/c16-11-2-5-13(6-3-11)18-9-14-7-10-1-4-12(17)8-15(10)19-14/h1-8,17H,9H2
InChIKeyHLNNHQYTXJMKFD-UHFFFAOYSA-N
MW274.70 g/mol
LogP4.37
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol

2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol (PubChem CID 117179375) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
PubChem CID117179375
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
SMILESOc1ccc2cc(COc3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C15H11ClO3/c16-11-2-5-13(6-3-11)18-9-14-7-10-1-4-12(17)8-15(10)19-14/h1-8,17H,9H2
InChIKeyHLNNHQYTXJMKFD-UHFFFAOYSA-N
XLogP4.37
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117179425
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol
CID 117179841
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
2-(azepan-1-ylmethyl)-1-benzofuran-6-ol
CID 117179274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol (CID 117179375) is 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol is Oc1ccc2cc(COc3ccc(Cl)cc3)oc2c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol?
The InChIKey is HLNNHQYTXJMKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-11-2-5-13(6-3-11)18-9-14-7-10-1-4-12(17)8-15(10)19-14/h1-8,17H,9H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol?
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol has a molecular weight of 274.70 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol is sourced from PubChem (CID 117179375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).