4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine

C24H18N2O2 — CID 2455354

IUPAC4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ccc(-c2ccc(Oc3ncnc4c3oc3ccccc34)c(C)c2)cc1
InChIInChI=1S/C24H18N2O2/c1-15-7-9-17(10-8-15)18-11-12-20(16(2)13-18)28-24-23-22(25-14-26-24)19-5-3-4-6-21(19)27-23/h3-14H,1-2H3
InChIKeyQDTGRPKPVCNZJL-UHFFFAOYSA-N
MW366.42 g/mol
LogP6.45
Rot. Bonds3

About 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine

4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2455354) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2455354
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ccc(-c2ccc(Oc3ncnc4c3oc3ccccc34)c(C)c2)cc1
InChIInChI=1S/C24H18N2O2/c1-15-7-9-17(10-8-15)18-11-12-20(16(2)13-18)28-24-23-22(25-14-26-24)19-5-3-4-6-21(19)27-23/h3-14H,1-2H3
InChIKeyQDTGRPKPVCNZJL-UHFFFAOYSA-N
XLogP6.45
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine (CID 2455354) is 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine is Cc1ccc(-c2ccc(Oc3ncnc4c3oc3ccccc34)c(C)c2)cc1.
What is the InChIKey of 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QDTGRPKPVCNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-15-7-9-17(10-8-15)18-11-12-20(16(2)13-18)28-24-23-22(25-14-26-24)19-5-3-4-6-21(19)27-23/h3-14H,1-2H3.
What are the key properties of 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine?
4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 366.42 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2455354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).