7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol

C12H13ClO2 — CID 70401899

IUPAC7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(C)cc2c1O
InChIInChI=1S/C12H13ClO2/c1-3-4-8-6-10(13)12-9(11(8)14)5-7(2)15-12/h5-6,14H,3-4H2,1-2H3
InChIKeySVRAQLLVPRBAGD-UHFFFAOYSA-N
MW224.69 g/mol
LogP4.05
Rot. Bonds2

About 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol

7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol (PubChem CID 70401899) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol
PubChem CID70401899
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(C)cc2c1O
InChIInChI=1S/C12H13ClO2/c1-3-4-8-6-10(13)12-9(11(8)14)5-7(2)15-12/h5-6,14H,3-4H2,1-2H3
InChIKeySVRAQLLVPRBAGD-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol (CID 70401899) is 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol is CCCc1cc(Cl)c2oc(C)cc2c1O.
What is the InChIKey of 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol?
The InChIKey is SVRAQLLVPRBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-3-4-8-6-10(13)12-9(11(8)14)5-7(2)15-12/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol?
7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol has a molecular weight of 224.69 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol is sourced from PubChem (CID 70401899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).