[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol

C18H16N2O2 — CID 172877663

IUPAC[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2cccc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C18H16N2O2/c21-12-15-10-19-18(20-11-15)16-7-4-8-17(9-16)22-13-14-5-2-1-3-6-14/h1-11,21H,12-13H2
InChIKeyJXHOMCPZTBTMSW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.21
Rot. Bonds5

About [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol

[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol (PubChem CID 172877663) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
PubChem CID172877663
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2cccc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C18H16N2O2/c21-12-15-10-19-18(20-11-15)16-7-4-8-17(9-16)22-13-14-5-2-1-3-6-14/h1-11,21H,12-13H2
InChIKeyJXHOMCPZTBTMSW-UHFFFAOYSA-N
XLogP3.21
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 102520214
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
2-(4-octoxyphenyl)-5-(3-phenylmethoxyphenyl)pyrimidine
CID 19386221
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105
2-phenyl-5-phenylmethoxyphenol
CID 123808909
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
CID 172649346
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol (CID 172877663) is [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol is OCc1cnc(-c2cccc(OCc3ccccc3)c2)nc1.
What is the InChIKey of [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol?
The InChIKey is JXHOMCPZTBTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-12-15-10-19-18(20-11-15)16-7-4-8-17(9-16)22-13-14-5-2-1-3-6-14/h1-11,21H,12-13H2.
What are the key properties of [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol?
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol has a molecular weight of 292.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 172877663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).