7-methyl-5-(4-methylphenyl)-1-benzofuran

C16H14O — CID 142970996

IUPAC7-methyl-5-(4-methylphenyl)-1-benzofuran
SMILESCc1ccc(-c2cc(C)c3occc3c2)cc1
InChIInChI=1S/C16H14O/c1-11-3-5-13(6-4-11)15-9-12(2)16-14(10-15)7-8-17-16/h3-10H,1-2H3
InChIKeyLJKLJSDWQHIIFY-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.72
Rot. Bonds1

About 7-methyl-5-(4-methylphenyl)-1-benzofuran

7-methyl-5-(4-methylphenyl)-1-benzofuran (PubChem CID 142970996) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 7-methyl-5-(4-methylphenyl)-1-benzofuran.

Molecular Properties

Compound Name7-methyl-5-(4-methylphenyl)-1-benzofuran
PubChem CID142970996
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name7-methyl-5-(4-methylphenyl)-1-benzofuran
SMILESCc1ccc(-c2cc(C)c3occc3c2)cc1
InChIInChI=1S/C16H14O/c1-11-3-5-13(6-4-11)15-9-12(2)16-14(10-15)7-8-17-16/h3-10H,1-2H3
InChIKeyLJKLJSDWQHIIFY-UHFFFAOYSA-N
XLogP4.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7-methyl-1-benzofuran-5-yl)methanamine
CID 142950179
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
3-(7-methyl-1-benzofuran-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142131134
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
5,7-dimethylfuro[2,3-c]pyran-6-ium
CID 15256760
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
CID 59975018

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(4-methylphenyl)-1-benzofuran?
The IUPAC name of 7-methyl-5-(4-methylphenyl)-1-benzofuran (CID 142970996) is 7-methyl-5-(4-methylphenyl)-1-benzofuran.
What is the SMILES notation for 7-methyl-5-(4-methylphenyl)-1-benzofuran?
The canonical SMILES for 7-methyl-5-(4-methylphenyl)-1-benzofuran is Cc1ccc(-c2cc(C)c3occc3c2)cc1.
What is the InChIKey of 7-methyl-5-(4-methylphenyl)-1-benzofuran?
The InChIKey is LJKLJSDWQHIIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-11-3-5-13(6-4-11)15-9-12(2)16-14(10-15)7-8-17-16/h3-10H,1-2H3.
What are the key properties of 7-methyl-5-(4-methylphenyl)-1-benzofuran?
7-methyl-5-(4-methylphenyl)-1-benzofuran has a molecular weight of 222.29 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(4-methylphenyl)-1-benzofuran is sourced from PubChem (CID 142970996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).