3-aminophenol;benzene-1,3-diol;ethane

C14H19NO3 — CID 142022536

IUPAC3-aminophenol;benzene-1,3-diol;ethane
SMILESCC.Nc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C6H7NO.C6H6O2.C2H6/c2*7-5-2-1-3-6(8)4-5;1-2/h1-4,8H,7H2;1-4,7-8H;1-2H3
InChIKeyJPYYIVICDBHWPM-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.10
Rot. Bonds

About 3-aminophenol;benzene-1,3-diol;ethane

3-aminophenol;benzene-1,3-diol;ethane (PubChem CID 142022536) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-aminophenol;benzene-1,3-diol;ethane.

Molecular Properties

Compound Name3-aminophenol;benzene-1,3-diol;ethane
PubChem CID142022536
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-aminophenol;benzene-1,3-diol;ethane
SMILESCC.Nc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C6H7NO.C6H6O2.C2H6/c2*7-5-2-1-3-6(8)4-5;1-2/h1-4,8H,7H2;1-4,7-8H;1-2H3
InChIKeyJPYYIVICDBHWPM-UHFFFAOYSA-N
XLogP3.10
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-aminophenol;molecular nitrogen
CID 174840874
3-aminophenol;4-aminophenol;benzene-1,3-diamine;benzene-1,4-diamine
CID 174818324
3-aminophenol;2-methylpropanoic acid
CID 70507875
3-aminophenol;3-tert-butylphenol;formaldehyde
CID 67925508
bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane
CID 158377078
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,2-diamine;benzene-1,3-diol
CID 67778876
3-aminophenol;benzenesulfonylbenzene
CID 68932329
3-[(3-aminophenyl)diazenyl]phenol
CID 134818875

Frequently Asked Questions

What is the IUPAC name of 3-aminophenol;benzene-1,3-diol;ethane?
The IUPAC name of 3-aminophenol;benzene-1,3-diol;ethane (CID 142022536) is 3-aminophenol;benzene-1,3-diol;ethane.
What is the SMILES notation for 3-aminophenol;benzene-1,3-diol;ethane?
The canonical SMILES for 3-aminophenol;benzene-1,3-diol;ethane is CC.Nc1cccc(O)c1.Oc1cccc(O)c1.
What is the InChIKey of 3-aminophenol;benzene-1,3-diol;ethane?
The InChIKey is JPYYIVICDBHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C6H6O2.C2H6/c2*7-5-2-1-3-6(8)4-5;1-2/h1-4,8H,7H2;1-4,7-8H;1-2H3.
What are the key properties of 3-aminophenol;benzene-1,3-diol;ethane?
3-aminophenol;benzene-1,3-diol;ethane has a molecular weight of 249.31 g/mol, XLogP of 3.10, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminophenol;benzene-1,3-diol;ethane is sourced from PubChem (CID 142022536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).