2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol

C22H18N2O3 — CID 1398255

IUPAC2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol
SMILESCOc1cc(C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-14-11-12-19(20(13-14)26-2)27-22-15-7-3-5-9-17(15)23-21(24-22)16-8-4-6-10-18(16)25/h3-13,25H,1-2H3
InChIKeyUEWXPPBEFSTYNS-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.11
Rot. Bonds4

About 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol

2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol (PubChem CID 1398255) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol
PubChem CID1398255
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol
SMILESCOc1cc(C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-14-11-12-19(20(13-14)26-2)27-22-15-7-3-5-9-17(15)23-21(24-22)16-8-4-6-10-18(16)25/h3-13,25H,1-2H3
InChIKeyUEWXPPBEFSTYNS-UHFFFAOYSA-N
XLogP5.11
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol (CID 1398255) is 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol is COc1cc(C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol?
The InChIKey is UEWXPPBEFSTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-11-12-19(20(13-14)26-2)27-22-15-7-3-5-9-17(15)23-21(24-22)16-8-4-6-10-18(16)25/h3-13,25H,1-2H3.
What are the key properties of 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol?
2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol has a molecular weight of 358.40 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol is sourced from PubChem (CID 1398255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).