1,3-bis(2-methylphenyl)-2-benzofuran

C22H18O — CID 59096365

IUPAC1,3-bis(2-methylphenyl)-2-benzofuran
SMILESCc1ccccc1-c1oc(-c2ccccc2C)c2ccccc12
InChIInChI=1S/C22H18O/c1-15-9-3-5-11-17(15)21-19-13-7-8-14-20(19)22(23-21)18-12-6-4-10-16(18)2/h3-14H,1-2H3
InChIKeyLBIUMLHTGBTILM-UHFFFAOYSA-N
MW298.38 g/mol
LogP6.38
Rot. Bonds2

About 1,3-bis(2-methylphenyl)-2-benzofuran

1,3-bis(2-methylphenyl)-2-benzofuran (PubChem CID 59096365) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1,3-bis(2-methylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1,3-bis(2-methylphenyl)-2-benzofuran
PubChem CID59096365
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name1,3-bis(2-methylphenyl)-2-benzofuran
SMILESCc1ccccc1-c1oc(-c2ccccc2C)c2ccccc12
InChIInChI=1S/C22H18O/c1-15-9-3-5-11-17(15)21-19-13-7-8-14-20(19)22(23-21)18-12-6-4-10-16(18)2/h3-14H,1-2H3
InChIKeyLBIUMLHTGBTILM-UHFFFAOYSA-N
XLogP6.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylphenyl)-2-benzofuran?
The IUPAC name of 1,3-bis(2-methylphenyl)-2-benzofuran (CID 59096365) is 1,3-bis(2-methylphenyl)-2-benzofuran.
What is the SMILES notation for 1,3-bis(2-methylphenyl)-2-benzofuran?
The canonical SMILES for 1,3-bis(2-methylphenyl)-2-benzofuran is Cc1ccccc1-c1oc(-c2ccccc2C)c2ccccc12.
What is the InChIKey of 1,3-bis(2-methylphenyl)-2-benzofuran?
The InChIKey is LBIUMLHTGBTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-15-9-3-5-11-17(15)21-19-13-7-8-14-20(19)22(23-21)18-12-6-4-10-16(18)2/h3-14H,1-2H3.
What are the key properties of 1,3-bis(2-methylphenyl)-2-benzofuran?
1,3-bis(2-methylphenyl)-2-benzofuran has a molecular weight of 298.38 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylphenyl)-2-benzofuran is sourced from PubChem (CID 59096365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).