1-(1-benzofuran-3-yl)-2-methylpentan-1-ol

C14H18O2 — CID 107892766

IUPAC1-(1-benzofuran-3-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1coc2ccccc12
InChIInChI=1S/C14H18O2/c1-3-6-10(2)14(15)12-9-16-13-8-5-4-7-11(12)13/h4-5,7-10,14-15H,3,6H2,1-2H3
InChIKeyFMRWHLDWXBNCRX-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.90
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol

1-(1-benzofuran-3-yl)-2-methylpentan-1-ol (PubChem CID 107892766) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-methylpentan-1-ol
PubChem CID107892766
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(1-benzofuran-3-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1coc2ccccc12
InChIInChI=1S/C14H18O2/c1-3-6-10(2)14(15)12-9-16-13-8-5-4-7-11(12)13/h4-5,7-10,14-15H,3,6H2,1-2H3
InChIKeyFMRWHLDWXBNCRX-UHFFFAOYSA-N
XLogP3.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzofuran-3-yl)-2-methylpentan-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-(1-benzofuran-3-yl)-2-bromopropan-1-ol
CID 116863408
2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
CID 65185900
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
2-(1-benzofuran-3-yl)octanoic acid
CID 66764434
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-(1-benzofuran-3-yl)-2-(furan-2-yl)ethanol
CID 83171940

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol (CID 107892766) is 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol is CCCC(C)C(O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol?
The InChIKey is FMRWHLDWXBNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-6-10(2)14(15)12-9-16-13-8-5-4-7-11(12)13/h4-5,7-10,14-15H,3,6H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol?
1-(1-benzofuran-3-yl)-2-methylpentan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 107892766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).