1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol

C11H10Cl2O2 — CID 65440506

IUPAC1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2c(Cl)ccc(Cl)c2o1
InChIInChI=1S/C11H10Cl2O2/c1-2-9(14)10-5-6-7(12)3-4-8(13)11(6)15-10/h3-5,9,14H,2H2,1H3
InChIKeyPQPXKWWBOBCROL-UHFFFAOYSA-N
MW245.10 g/mol
LogP4.18
Rot. Bonds2

About 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol

1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol (PubChem CID 65440506) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
PubChem CID65440506
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2c(Cl)ccc(Cl)c2o1
InChIInChI=1S/C11H10Cl2O2/c1-2-9(14)10-5-6-7(12)3-4-8(13)11(6)15-10/h3-5,9,14H,2H2,1H3
InChIKeyPQPXKWWBOBCROL-UHFFFAOYSA-N
XLogP4.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol (CID 65440506) is 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol is CCC(O)c1cc2c(Cl)ccc(Cl)c2o1.
What is the InChIKey of 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is PQPXKWWBOBCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-2-9(14)10-5-6-7(12)3-4-8(13)11(6)15-10/h3-5,9,14H,2H2,1H3.
What are the key properties of 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol?
1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 245.10 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 65440506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).