4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol

C17H14N2O2 — CID 1479927

IUPAC4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol
SMILESCOc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-15-8-4-12(5-9-15)16-10-11-18-17(19-16)13-2-6-14(20)7-3-13/h2-11,20H,1H3
InChIKeyDKFBCULBTJRMBM-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.52
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol

4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol (PubChem CID 1479927) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol
PubChem CID1479927
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol
SMILESCOc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-15-8-4-12(5-9-15)16-10-11-18-17(19-16)13-2-6-14(20)7-3-13/h2-11,20H,1H3
InChIKeyDKFBCULBTJRMBM-UHFFFAOYSA-N
XLogP3.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol (CID 1479927) is 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol is COc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol?
The InChIKey is DKFBCULBTJRMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-15-8-4-12(5-9-15)16-10-11-18-17(19-16)13-2-6-14(20)7-3-13/h2-11,20H,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol?
4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol has a molecular weight of 278.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 1479927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).