6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran

C12H13ClO2 — CID 117179425

IUPAC6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran
SMILESCC(C)OCc1cc2ccc(Cl)cc2o1
InChIInChI=1S/C12H13ClO2/c1-8(2)14-7-11-5-9-3-4-10(13)6-12(9)15-11/h3-6,8H,7H2,1-2H3
InChIKeyKSTOFPUZRZFWAG-UHFFFAOYSA-N
MW224.69 g/mol
LogP4.01
Rot. Bonds3

About 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran

6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran (PubChem CID 117179425) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran.

Molecular Properties

Compound Name6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran
PubChem CID117179425
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran
SMILESCC(C)OCc1cc2ccc(Cl)cc2o1
InChIInChI=1S/C12H13ClO2/c1-8(2)14-7-11-5-9-3-4-10(13)6-12(9)15-11/h3-6,8H,7H2,1-2H3
InChIKeyKSTOFPUZRZFWAG-UHFFFAOYSA-N
XLogP4.01
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117179426
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
2-(6-chloro-1-benzofuran-2-yl)propan-1-ol
CID 117122391
2-(6-chloro-1-benzofuran-2-yl)acetic acid
CID 82612573
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
CID 117179375
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
CID 114733936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran?
The IUPAC name of 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran (CID 117179425) is 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran.
What is the SMILES notation for 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran?
The canonical SMILES for 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran is CC(C)OCc1cc2ccc(Cl)cc2o1.
What is the InChIKey of 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran?
The InChIKey is KSTOFPUZRZFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-8(2)14-7-11-5-9-3-4-10(13)6-12(9)15-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran?
6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran has a molecular weight of 224.69 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran is sourced from PubChem (CID 117179425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).