5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol

C19H18N2O3 — CID 665821

IUPAC5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
SMILESCCOc1ccc(-c2ncncc2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-15-8-9-16(18(22)10-15)19-17(11-20-12-21-19)13-4-6-14(23-2)7-5-13/h4-12,22H,3H2,1-2H3
InChIKeyLRLYXVMEGQFJRF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds5

About 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol

5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 665821) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID665821
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
SMILESCCOc1ccc(-c2ncncc2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-15-8-9-16(18(22)10-15)19-17(11-20-12-21-19)13-4-6-14(23-2)7-5-13/h4-12,22H,3H2,1-2H3
InChIKeyLRLYXVMEGQFJRF-UHFFFAOYSA-N
XLogP3.92
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol (CID 665821) is 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol is CCOc1ccc(-c2ncncc2-c2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is LRLYXVMEGQFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-15-8-9-16(18(22)10-15)19-17(11-20-12-21-19)13-4-6-14(23-2)7-5-13/h4-12,22H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol?
5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 322.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 665821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).