1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol

C12H13ClO2 — CID 65439178

IUPAC1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2c(C)ccc(Cl)c2o1
InChIInChI=1S/C12H13ClO2/c1-3-10(14)11-6-8-7(2)4-5-9(13)12(8)15-11/h4-6,10,14H,3H2,1-2H3
InChIKeyZOBHVGPZDXIIIA-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.84
Rot. Bonds2

About 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol

1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 65439178) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID65439178
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2c(C)ccc(Cl)c2o1
InChIInChI=1S/C12H13ClO2/c1-3-10(14)11-6-8-7(2)4-5-9(13)12(8)15-11/h4-6,10,14H,3H2,1-2H3
InChIKeyZOBHVGPZDXIIIA-UHFFFAOYSA-N
XLogP3.84
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol (CID 65439178) is 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol is CCC(O)c1cc2c(C)ccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is ZOBHVGPZDXIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-3-10(14)11-6-8-7(2)4-5-9(13)12(8)15-11/h4-6,10,14H,3H2,1-2H3.
What are the key properties of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol?
1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 224.69 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 65439178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).