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

C14H18O — CID 143330930

IUPAC2-(3-methylpentan-3-yl)-1-benzofuran
SMILESCCC(C)(CC)c1cc2ccccc2o1
InChIInChI=1S/C14H18O/c1-4-14(3,5-2)13-10-11-8-6-7-9-12(11)15-13/h6-10H,4-5H2,1-3H3
InChIKeyNULSCILRHMNMQO-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.51
Rot. Bonds3

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

2-(3-methylpentan-3-yl)-1-benzofuran (PubChem CID 143330930) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)-1-benzofuran.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)-1-benzofuran
PubChem CID143330930
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(3-methylpentan-3-yl)-1-benzofuran
SMILESCCC(C)(CC)c1cc2ccccc2o1
InChIInChI=1S/C14H18O/c1-4-14(3,5-2)13-10-11-8-6-7-9-12(11)15-13/h6-10H,4-5H2,1-3H3
InChIKeyNULSCILRHMNMQO-UHFFFAOYSA-N
XLogP4.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 80604441
1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 114724590
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
[(1S)-1-(1-benzofuran-2-yl)-1-cyclohexylethoxy]-triethylsilane
CID 154712273
2-butan-2-yl-1-benzofuran
CID 12065919
4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile
CID 114724519
1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol
CID 114724321
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol
CID 12046892
5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
CID 103391600

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)-1-benzofuran?
The IUPAC name of 2-(3-methylpentan-3-yl)-1-benzofuran (CID 143330930) is 2-(3-methylpentan-3-yl)-1-benzofuran.
What is the SMILES notation for 2-(3-methylpentan-3-yl)-1-benzofuran?
The canonical SMILES for 2-(3-methylpentan-3-yl)-1-benzofuran is CCC(C)(CC)c1cc2ccccc2o1.
What is the InChIKey of 2-(3-methylpentan-3-yl)-1-benzofuran?
The InChIKey is NULSCILRHMNMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-14(3,5-2)13-10-11-8-6-7-9-12(11)15-13/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)-1-benzofuran?
2-(3-methylpentan-3-yl)-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)-1-benzofuran is sourced from PubChem (CID 143330930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).