2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran

C18H18O2 — CID 145481148

IUPAC2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
SMILESCc1cc(-c2cc3ccccc3o2)ccc1OC(C)C
InChIInChI=1S/C18H18O2/c1-12(2)19-16-9-8-15(10-13(16)3)18-11-14-6-4-5-7-17(14)20-18/h4-12H,1-3H3
InChIKeyUAXQXWAYRRZUJB-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.20
Rot. Bonds3

About 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran

2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran (PubChem CID 145481148) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
PubChem CID145481148
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
SMILESCc1cc(-c2cc3ccccc3o2)ccc1OC(C)C
InChIInChI=1S/C18H18O2/c1-12(2)19-16-9-8-15(10-13(16)3)18-11-14-6-4-5-7-17(14)20-18/h4-12H,1-3H3
InChIKeyUAXQXWAYRRZUJB-UHFFFAOYSA-N
XLogP5.20
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran?
The IUPAC name of 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran (CID 145481148) is 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran?
The canonical SMILES for 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran is Cc1cc(-c2cc3ccccc3o2)ccc1OC(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran?
The InChIKey is UAXQXWAYRRZUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12(2)19-16-9-8-15(10-13(16)3)18-11-14-6-4-5-7-17(14)20-18/h4-12H,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran?
2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran has a molecular weight of 266.34 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran is sourced from PubChem (CID 145481148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).