7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran

C18H18O — CID 138519726

IUPAC7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran
SMILESCc1c(C(C)C)cc(-c2ccccc2)c2ccoc12
InChIInChI=1S/C18H18O/c1-12(2)16-11-17(14-7-5-4-6-8-14)15-9-10-19-18(15)13(16)3/h4-12H,1-3H3
InChIKeyLCZCKFSDYKDJTN-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.53
Rot. Bonds2

About 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran

7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran (PubChem CID 138519726) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran
PubChem CID138519726
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran
SMILESCc1c(C(C)C)cc(-c2ccccc2)c2ccoc12
InChIInChI=1S/C18H18O/c1-12(2)16-11-17(14-7-5-4-6-8-14)15-9-10-19-18(15)13(16)3/h4-12H,1-3H3
InChIKeyLCZCKFSDYKDJTN-UHFFFAOYSA-N
XLogP5.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran?
The IUPAC name of 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran (CID 138519726) is 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran.
What is the SMILES notation for 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran?
The canonical SMILES for 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran is Cc1c(C(C)C)cc(-c2ccccc2)c2ccoc12.
What is the InChIKey of 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran?
The InChIKey is LCZCKFSDYKDJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12(2)16-11-17(14-7-5-4-6-8-14)15-9-10-19-18(15)13(16)3/h4-12H,1-3H3.
What are the key properties of 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran?
7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran has a molecular weight of 250.34 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran is sourced from PubChem (CID 138519726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).