5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran

C13H15ClO2 — CID 129040719

IUPAC5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran
SMILESCOCc1cc2cc(Cl)cc(C(C)C)c2o1
InChIInChI=1S/C13H15ClO2/c1-8(2)12-6-10(14)4-9-5-11(7-15-3)16-13(9)12/h4-6,8H,7H2,1-3H3
InChIKeyWGNOCNMDEAVFKZ-UHFFFAOYSA-N
MW238.71 g/mol
LogP4.36
Rot. Bonds3

About 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran

5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran (PubChem CID 129040719) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran
PubChem CID129040719
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran
SMILESCOCc1cc2cc(Cl)cc(C(C)C)c2o1
InChIInChI=1S/C13H15ClO2/c1-8(2)12-6-10(14)4-9-5-11(7-15-3)16-13(9)12/h4-6,8H,7H2,1-3H3
InChIKeyWGNOCNMDEAVFKZ-UHFFFAOYSA-N
XLogP4.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran?
The IUPAC name of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran (CID 129040719) is 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran?
The canonical SMILES for 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran is COCc1cc2cc(Cl)cc(C(C)C)c2o1.
What is the InChIKey of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran?
The InChIKey is WGNOCNMDEAVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8(2)12-6-10(14)4-9-5-11(7-15-3)16-13(9)12/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran?
5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran has a molecular weight of 238.71 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methoxymethyl)-7-propan-2-yl-1-benzofuran is sourced from PubChem (CID 129040719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).