2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol

C13H14N2O2 — CID 103520351

IUPAC2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
SMILESOCCc1ccc(OCc2ncccn2)cc1
InChIInChI=1S/C13H14N2O2/c16-9-6-11-2-4-12(5-3-11)17-10-13-14-7-1-8-15-13/h1-5,7-8,16H,6,9-10H2
InChIKeyLCRPEBCPHSIWPX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol

2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol (PubChem CID 103520351) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
PubChem CID103520351
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
SMILESOCCc1ccc(OCc2ncccn2)cc1
InChIInChI=1S/C13H14N2O2/c16-9-6-11-2-4-12(5-3-11)17-10-13-14-7-1-8-15-13/h1-5,7-8,16H,6,9-10H2
InChIKeyLCRPEBCPHSIWPX-UHFFFAOYSA-N
XLogP1.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62698762
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2-[4-[(3,6-dichloro-2-pyridinyl)methoxy]phenyl]ethanol
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CID 154026431
2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
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CID 107709800
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
CID 107709236
3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
CID 54511340
2-[4-(azidomethoxy)phenyl]ethanol
CID 150054112
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol (CID 103520351) is 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol is OCCc1ccc(OCc2ncccn2)cc1.
What is the InChIKey of 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
The InChIKey is LCRPEBCPHSIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-9-6-11-2-4-12(5-3-11)17-10-13-14-7-1-8-15-13/h1-5,7-8,16H,6,9-10H2.
What are the key properties of 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol?
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol has a molecular weight of 230.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 103520351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).