3-methyl-2,5-di(propan-2-yl)-1-benzofuran

C15H20O — CID 154693825

IUPAC3-methyl-2,5-di(propan-2-yl)-1-benzofuran
SMILESCc1c(C(C)C)oc2ccc(C(C)C)cc12
InChIInChI=1S/C15H20O/c1-9(2)12-6-7-14-13(8-12)11(5)15(16-14)10(3)4/h6-10H,1-5H3
InChIKeyMSNRYGNFRGSIDE-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.99
Rot. Bonds2

About 3-methyl-2,5-di(propan-2-yl)-1-benzofuran

3-methyl-2,5-di(propan-2-yl)-1-benzofuran (PubChem CID 154693825) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methyl-2,5-di(propan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name3-methyl-2,5-di(propan-2-yl)-1-benzofuran
PubChem CID154693825
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-methyl-2,5-di(propan-2-yl)-1-benzofuran
SMILESCc1c(C(C)C)oc2ccc(C(C)C)cc12
InChIInChI=1S/C15H20O/c1-9(2)12-6-7-14-13(8-12)11(5)15(16-14)10(3)4/h6-10H,1-5H3
InChIKeyMSNRYGNFRGSIDE-UHFFFAOYSA-N
XLogP4.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2,5-di(propan-2-yl)-1-benzofuran
CID 59463798
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid
CID 173019493
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
2-methyl-3-phenylsulfanyl-5-propan-2-yl-1-benzofuran
CID 91085598
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 43505426
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
CID 3088260
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
9,10-dimethyl-2-propan-2-ylphenanthrene
CID 140734876

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-di(propan-2-yl)-1-benzofuran?
The IUPAC name of 3-methyl-2,5-di(propan-2-yl)-1-benzofuran (CID 154693825) is 3-methyl-2,5-di(propan-2-yl)-1-benzofuran.
What is the SMILES notation for 3-methyl-2,5-di(propan-2-yl)-1-benzofuran?
The canonical SMILES for 3-methyl-2,5-di(propan-2-yl)-1-benzofuran is Cc1c(C(C)C)oc2ccc(C(C)C)cc12.
What is the InChIKey of 3-methyl-2,5-di(propan-2-yl)-1-benzofuran?
The InChIKey is MSNRYGNFRGSIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-9(2)12-6-7-14-13(8-12)11(5)15(16-14)10(3)4/h6-10H,1-5H3.
What are the key properties of 3-methyl-2,5-di(propan-2-yl)-1-benzofuran?
3-methyl-2,5-di(propan-2-yl)-1-benzofuran has a molecular weight of 216.32 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-di(propan-2-yl)-1-benzofuran is sourced from PubChem (CID 154693825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).