4-[4-(1-aminoethenyl)phenyl]oxan-4-ol

C13H17NO2 — CID 89225401

IUPAC4-[4-(1-aminoethenyl)phenyl]oxan-4-ol
SMILESC=C(N)c1ccc(C2(O)CCOCC2)cc1
InChIInChI=1S/C13H17NO2/c1-10(14)11-2-4-12(5-3-11)13(15)6-8-16-9-7-13/h2-5,15H,1,6-9,14H2
InChIKeyGXCSISZEJPPTIS-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.61
Rot. Bonds2

About 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol

4-[4-(1-aminoethenyl)phenyl]oxan-4-ol (PubChem CID 89225401) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(1-aminoethenyl)phenyl]oxan-4-ol
PubChem CID89225401
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[4-(1-aminoethenyl)phenyl]oxan-4-ol
SMILESC=C(N)c1ccc(C2(O)CCOCC2)cc1
InChIInChI=1S/C13H17NO2/c1-10(14)11-2-4-12(5-3-11)13(15)6-8-16-9-7-13/h2-5,15H,1,6-9,14H2
InChIKeyGXCSISZEJPPTIS-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine
CID 89070780
formic acid;N'-hydroxy-4-(4-hydroxyoxan-4-yl)benzenecarboximidamide
CID 172957539
4-(4-ethylphenyl)oxan-4-ol
CID 63222829
4-(4-iodophenyl)oxepan-4-ol
CID 66911955
4-(4-phenylphenyl)oxepan-4-ol
CID 65456076
4-(4-propan-2-ylphenyl)oxepan-4-ol
CID 65081084
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
4-(4-propylphenyl)oxepan-4-ol
CID 65080658
ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol
CID 156651418
4-(2-amino-4-pyridinyl)oxan-4-ol
CID 155349774
N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide
CID 58538631
4-(3,4-difluorophenyl)oxepan-4-ol
CID 65079366

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol?
The IUPAC name of 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol (CID 89225401) is 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol.
What is the SMILES notation for 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol?
The canonical SMILES for 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol is C=C(N)c1ccc(C2(O)CCOCC2)cc1.
What is the InChIKey of 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol?
The InChIKey is GXCSISZEJPPTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(14)11-2-4-12(5-3-11)13(15)6-8-16-9-7-13/h2-5,15H,1,6-9,14H2.
What are the key properties of 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol?
4-[4-(1-aminoethenyl)phenyl]oxan-4-ol has a molecular weight of 219.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethenyl)phenyl]oxan-4-ol is sourced from PubChem (CID 89225401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).