2-(4-propan-2-yloxyquinazolin-2-yl)phenol

C17H16N2O2 — CID 659553

IUPAC2-(4-propan-2-yloxyquinazolin-2-yl)phenol
SMILESCC(C)Oc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-11(2)21-17-12-7-3-5-9-14(12)18-16(19-17)13-8-4-6-10-15(13)20/h3-11,20H,1-2H3
InChIKeyLJHVDKUWDATTSQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-propan-2-yloxyquinazolin-2-yl)phenol

2-(4-propan-2-yloxyquinazolin-2-yl)phenol (PubChem CID 659553) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyquinazolin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-propan-2-yloxyquinazolin-2-yl)phenol
PubChem CID659553
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-propan-2-yloxyquinazolin-2-yl)phenol
SMILESCC(C)Oc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-11(2)21-17-12-7-3-5-9-14(12)18-16(19-17)13-8-4-6-10-15(13)20/h3-11,20H,1-2H3
InChIKeyLJHVDKUWDATTSQ-UHFFFAOYSA-N
XLogP3.79
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyquinazolin-2-yl)phenol?
The IUPAC name of 2-(4-propan-2-yloxyquinazolin-2-yl)phenol (CID 659553) is 2-(4-propan-2-yloxyquinazolin-2-yl)phenol.
What is the SMILES notation for 2-(4-propan-2-yloxyquinazolin-2-yl)phenol?
The canonical SMILES for 2-(4-propan-2-yloxyquinazolin-2-yl)phenol is CC(C)Oc1nc(-c2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-(4-propan-2-yloxyquinazolin-2-yl)phenol?
The InChIKey is LJHVDKUWDATTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)21-17-12-7-3-5-9-14(12)18-16(19-17)13-8-4-6-10-15(13)20/h3-11,20H,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyquinazolin-2-yl)phenol?
2-(4-propan-2-yloxyquinazolin-2-yl)phenol has a molecular weight of 280.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyquinazolin-2-yl)phenol is sourced from PubChem (CID 659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).