4-methyl-2-propyl-2,3-dihydro-1-benzofuran

C12H16O — CID 141132371

IUPAC4-methyl-2-propyl-2,3-dihydro-1-benzofuran
SMILESCCCC1Cc2c(C)cccc2O1
InChIInChI=1S/C12H16O/c1-3-5-10-8-11-9(2)6-4-7-12(11)13-10/h4,6-7,10H,3,5,8H2,1-2H3
InChIKeyOIYCPQAXMFJIGN-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-2-propyl-2,3-dihydro-1-benzofuran

4-methyl-2-propyl-2,3-dihydro-1-benzofuran (PubChem CID 141132371) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-2-propyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-methyl-2-propyl-2,3-dihydro-1-benzofuran
PubChem CID141132371
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-methyl-2-propyl-2,3-dihydro-1-benzofuran
SMILESCCCC1Cc2c(C)cccc2O1
InChIInChI=1S/C12H16O/c1-3-5-10-8-11-9(2)6-4-7-12(11)13-10/h4,6-7,10H,3,5,8H2,1-2H3
InChIKeyOIYCPQAXMFJIGN-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-propyl-2,3-dihydro-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

(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
CID 117198214
2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
3-propyl-3,4-dihydroisochromen-1-one
CID 11116834
(3S)-3-propyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 125479547
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one
CID 117198387
(2-ethyl-2,3-dihydro-1-benzofuran-4-yl) trifluoromethanesulfonate
CID 87222834
2-propyl-1,3-benzodioxole;hydrochloride
CID 172752983
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473
1-(4-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-methylpropan-2-amine
CID 117198427
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-methyl-2-propyl-2,3-dihydro-1-benzofuran (CID 141132371) is 4-methyl-2-propyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-methyl-2-propyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-methyl-2-propyl-2,3-dihydro-1-benzofuran is CCCC1Cc2c(C)cccc2O1.
What is the InChIKey of 4-methyl-2-propyl-2,3-dihydro-1-benzofuran?
The InChIKey is OIYCPQAXMFJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-5-10-8-11-9(2)6-4-7-12(11)13-10/h4,6-7,10H,3,5,8H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-2,3-dihydro-1-benzofuran?
4-methyl-2-propyl-2,3-dihydro-1-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141132371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).