4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol

C15H11ClO3 — CID 117170423

IUPAC4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
SMILESOc1ccc(OCc2coc3cccc(Cl)c23)cc1
InChIInChI=1S/C15H11ClO3/c16-13-2-1-3-14-15(13)10(9-19-14)8-18-12-6-4-11(17)5-7-12/h1-7,9,17H,8H2
InChIKeyNCPJWWRJDRAADZ-UHFFFAOYSA-N
MW274.70 g/mol
LogP4.37
Rot. Bonds3

About 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol

4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol (PubChem CID 117170423) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
PubChem CID117170423
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
SMILESOc1ccc(OCc2coc3cccc(Cl)c23)cc1
InChIInChI=1S/C15H11ClO3/c16-13-2-1-3-14-15(13)10(9-19-14)8-18-12-6-4-11(17)5-7-12/h1-7,9,17H,8H2
InChIKeyNCPJWWRJDRAADZ-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

4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417
4-chloro-3-(methoxymethyl)-1-benzofuran
CID 117170460
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233
2-(4-chloro-1-benzofuran-3-yl)acetonitrile
CID 57127008
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
CID 117119159

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol?
The IUPAC name of 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol (CID 117170423) is 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol.
What is the SMILES notation for 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol?
The canonical SMILES for 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol is Oc1ccc(OCc2coc3cccc(Cl)c23)cc1.
What is the InChIKey of 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol?
The InChIKey is NCPJWWRJDRAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-13-2-1-3-14-15(13)10(9-19-14)8-18-12-6-4-11(17)5-7-12/h1-7,9,17H,8H2.
What are the key properties of 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol?
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol 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 4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol is sourced from PubChem (CID 117170423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).