1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol

C23H20N2O2 — CID 102315594

IUPAC1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N2O2/c1-23(26,17-12-14-18(27-2)15-13-17)21-19-10-6-7-11-20(19)24-22(25-21)16-8-4-3-5-9-16/h3-15,26H,1-2H3
InChIKeyRAHFMPBJGYLALB-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol

1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol (PubChem CID 102315594) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol
PubChem CID102315594
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N2O2/c1-23(26,17-12-14-18(27-2)15-13-17)21-19-10-6-7-11-20(19)24-22(25-21)16-8-4-3-5-9-16/h3-15,26H,1-2H3
InChIKeyRAHFMPBJGYLALB-UHFFFAOYSA-N
XLogP4.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol (CID 102315594) is 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol is COc1ccc(C(C)(O)c2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol?
The InChIKey is RAHFMPBJGYLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-23(26,17-12-14-18(27-2)15-13-17)21-19-10-6-7-11-20(19)24-22(25-21)16-8-4-3-5-9-16/h3-15,26H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol?
1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol has a molecular weight of 356.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(2-phenylquinazolin-4-yl)ethanol is sourced from PubChem (CID 102315594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).