3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol

C14H18O2 — CID 58731139

IUPAC3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol
SMILESCCC(O)(CC)c1cccc2oc(C)cc12
InChIInChI=1S/C14H18O2/c1-4-14(15,5-2)12-7-6-8-13-11(12)9-10(3)16-13/h6-9,15H,4-5H2,1-3H3
InChIKeyCJPZRKWOKMBWDU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.75
Rot. Bonds3

About 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol

3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol (PubChem CID 58731139) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol
PubChem CID58731139
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol
SMILESCCC(O)(CC)c1cccc2oc(C)cc12
InChIInChI=1S/C14H18O2/c1-4-14(15,5-2)12-7-6-8-13-11(12)9-10(3)16-13/h6-9,15H,4-5H2,1-3H3
InChIKeyCJPZRKWOKMBWDU-UHFFFAOYSA-N
XLogP3.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methyl-1-benzofuran-4-yl)pentan-3-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 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol?
The IUPAC name of 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol (CID 58731139) is 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol.
What is the SMILES notation for 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol?
The canonical SMILES for 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol is CCC(O)(CC)c1cccc2oc(C)cc12.
What is the InChIKey of 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol?
The InChIKey is CJPZRKWOKMBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-14(15,5-2)12-7-6-8-13-11(12)9-10(3)16-13/h6-9,15H,4-5H2,1-3H3.
What are the key properties of 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol?
3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol has a molecular weight of 218.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-benzofuran-4-yl)pentan-3-ol is sourced from PubChem (CID 58731139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).