3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran

C19H20O — CID 122402252

IUPAC3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran
SMILESC=C(CC1(C)COc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H20O/c1-14-8-10-16(11-9-14)15(2)12-19(3)13-20-18-7-5-4-6-17(18)19/h4-11H,2,12-13H2,1,3H3
InChIKeyMHOAGNRXHKEEEI-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.75
Rot. Bonds3

About 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran

3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran (PubChem CID 122402252) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran.

Molecular Properties

Compound Name3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran
PubChem CID122402252
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran
SMILESC=C(CC1(C)COc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H20O/c1-14-8-10-16(11-9-14)15(2)12-19(3)13-20-18-7-5-4-6-17(18)19/h4-11H,2,12-13H2,1,3H3
InChIKeyMHOAGNRXHKEEEI-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran?
The IUPAC name of 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran (CID 122402252) is 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran.
What is the SMILES notation for 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran?
The canonical SMILES for 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran is C=C(CC1(C)COc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran?
The InChIKey is MHOAGNRXHKEEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-14-8-10-16(11-9-14)15(2)12-19(3)13-20-18-7-5-4-6-17(18)19/h4-11H,2,12-13H2,1,3H3.
What are the key properties of 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran?
3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran has a molecular weight of 264.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran is sourced from PubChem (CID 122402252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).