5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran

C12H16O — CID 126553020

IUPAC5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran
SMILESCc1ccc2c(c1)COC2C(C)C
InChIInChI=1S/C12H16O/c1-8(2)12-11-5-4-9(3)6-10(11)7-13-12/h4-6,8,12H,7H2,1-3H3
InChIKeyZRJMIABWWCENSM-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.22
Rot. Bonds1

About 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran

5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran (PubChem CID 126553020) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran
PubChem CID126553020
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran
SMILESCc1ccc2c(c1)COC2C(C)C
InChIInChI=1S/C12H16O/c1-8(2)12-11-5-4-9(3)6-10(11)7-13-12/h4-6,8,12H,7H2,1-3H3
InChIKeyZRJMIABWWCENSM-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran 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 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran (CID 126553020) is 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran is Cc1ccc2c(c1)COC2C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran?
The InChIKey is ZRJMIABWWCENSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8(2)12-11-5-4-9(3)6-10(11)7-13-12/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran?
5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 126553020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).