4-aminophenol;2,3-dimethylideneoxane

C13H17NO2 — CID 143875727

IUPAC4-aminophenol;2,3-dimethylideneoxane
SMILESC=C1CCCOC1=C.Nc1ccc(O)cc1
InChIInChI=1S/C7H10O.C6H7NO/c1-6-4-3-5-8-7(6)2;7-5-1-3-6(8)4-2-5/h1-5H2;1-4,8H,7H2
InChIKeyVDNCQKWYDMWOLN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.84
Rot. Bonds

About 4-aminophenol;2,3-dimethylideneoxane

4-aminophenol;2,3-dimethylideneoxane (PubChem CID 143875727) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-aminophenol;2,3-dimethylideneoxane.

Molecular Properties

Compound Name4-aminophenol;2,3-dimethylideneoxane
PubChem CID143875727
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-aminophenol;2,3-dimethylideneoxane
SMILESC=C1CCCOC1=C.Nc1ccc(O)cc1
InChIInChI=1S/C7H10O.C6H7NO/c1-6-4-3-5-8-7(6)2;7-5-1-3-6(8)4-2-5/h1-5H2;1-4,8H,7H2
InChIKeyVDNCQKWYDMWOLN-UHFFFAOYSA-N
XLogP2.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;2,3-dimethylideneoxane?
The IUPAC name of 4-aminophenol;2,3-dimethylideneoxane (CID 143875727) is 4-aminophenol;2,3-dimethylideneoxane.
What is the SMILES notation for 4-aminophenol;2,3-dimethylideneoxane?
The canonical SMILES for 4-aminophenol;2,3-dimethylideneoxane is C=C1CCCOC1=C.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;2,3-dimethylideneoxane?
The InChIKey is VDNCQKWYDMWOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C6H7NO/c1-6-4-3-5-8-7(6)2;7-5-1-3-6(8)4-2-5/h1-5H2;1-4,8H,7H2.
What are the key properties of 4-aminophenol;2,3-dimethylideneoxane?
4-aminophenol;2,3-dimethylideneoxane has a molecular weight of 219.28 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;2,3-dimethylideneoxane is sourced from PubChem (CID 143875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).