5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran

C16H13ClO3 — CID 117174314

IUPAC5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccc(OCc2coc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClO3/c1-18-13-3-5-14(6-4-13)19-9-11-10-20-16-7-2-12(17)8-15(11)16/h2-8,10H,9H2,1H3
InChIKeyMBENEHWNULZNED-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.67
Rot. Bonds4

About 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran

5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran (PubChem CID 117174314) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
PubChem CID117174314
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
SMILESCOc1ccc(OCc2coc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClO3/c1-18-13-3-5-14(6-4-13)19-9-11-10-20-16-7-2-12(17)8-15(11)16/h2-8,10H,9H2,1H3
InChIKeyMBENEHWNULZNED-UHFFFAOYSA-N
XLogP4.67
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
5-chloro-3-(methoxymethyl)-1-benzofuran
CID 117174343
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221271
(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
CID 117174164
4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124827
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
The IUPAC name of 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran (CID 117174314) is 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran is COc1ccc(OCc2coc3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
The InChIKey is MBENEHWNULZNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-18-13-3-5-14(6-4-13)19-9-11-10-20-16-7-2-12(17)8-15(11)16/h2-8,10H,9H2,1H3.
What are the key properties of 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran?
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran has a molecular weight of 288.73 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117174314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).