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

C14H17ClO2 — CID 65438982

IUPAC1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCc1ccc(Cl)c2oc(C(O)C(C)(C)C)cc12
InChIInChI=1S/C14H17ClO2/c1-8-5-6-10(15)12-9(8)7-11(17-12)13(16)14(2,3)4/h5-7,13,16H,1-4H3
InChIKeyASTNITPBRLUTCL-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.47
Rot. Bonds1

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

1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 65438982) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID65438982
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCc1ccc(Cl)c2oc(C(O)C(C)(C)C)cc12
InChIInChI=1S/C14H17ClO2/c1-8-5-6-10(15)12-9(8)7-11(17-12)13(16)14(2,3)4/h5-7,13,16H,1-4H3
InChIKeyASTNITPBRLUTCL-UHFFFAOYSA-N
XLogP4.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65439178
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
(7-chloro-4-methyl-1-benzofuran-2-yl)methanol
CID 65439177
1-(5-chlorobenzo[g][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441077
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438491
1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
CID 65440506
1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol
CID 155481572
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
[4-[5-(7-chloro-4-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 139417099
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114727377

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (CID 65438982) is 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is Cc1ccc(Cl)c2oc(C(O)C(C)(C)C)cc12.
What is the InChIKey of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is ASTNITPBRLUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-8-5-6-10(15)12-9(8)7-11(17-12)13(16)14(2,3)4/h5-7,13,16H,1-4H3.
What are the key properties of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 252.74 g/mol, XLogP of 4.47, 1 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)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65438982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).