2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol

C23H20N2O2 — CID 2012422

IUPAC2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol
SMILESCc1cc(C)c(C)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1
InChIInChI=1S/C23H20N2O2/c1-14-12-15(2)16(3)21(13-14)27-23-17-8-4-6-10-19(17)24-22(25-23)18-9-5-7-11-20(18)26/h4-13,26H,1-3H3
InChIKeyVHBUQZSJXVXXDN-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.72
Rot. Bonds3

About 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol

2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol (PubChem CID 2012422) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol
PubChem CID2012422
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol
SMILESCc1cc(C)c(C)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1
InChIInChI=1S/C23H20N2O2/c1-14-12-15(2)16(3)21(13-14)27-23-17-8-4-6-10-19(17)24-22(25-23)18-9-5-7-11-20(18)26/h4-13,26H,1-3H3
InChIKeyVHBUQZSJXVXXDN-UHFFFAOYSA-N
XLogP5.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol (CID 2012422) is 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol is Cc1cc(C)c(C)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1.
What is the InChIKey of 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol?
The InChIKey is VHBUQZSJXVXXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-14-12-15(2)16(3)21(13-14)27-23-17-8-4-6-10-19(17)24-22(25-23)18-9-5-7-11-20(18)26/h4-13,26H,1-3H3.
What are the key properties of 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol?
2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol is sourced from PubChem (CID 2012422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).