3-aminophenol;3-tert-butylphenol;formaldehyde

C17H23NO3 — CID 67925508

IUPAC3-aminophenol;3-tert-butylphenol;formaldehyde
SMILESC=O.CC(C)(C)c1cccc(O)c1.Nc1cccc(O)c1
InChIInChI=1S/C10H14O.C6H7NO.CH2O/c1-10(2,3)8-5-4-6-9(11)7-8;7-5-2-1-3-6(8)4-5;1-2/h4-7,11H,1-3H3;1-4,8H,7H2;1H2
InChIKeyGQUAMOAAGHFFFJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.48
Rot. Bonds

About 3-aminophenol;3-tert-butylphenol;formaldehyde

3-aminophenol;3-tert-butylphenol;formaldehyde (PubChem CID 67925508) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-aminophenol;3-tert-butylphenol;formaldehyde.

Molecular Properties

Compound Name3-aminophenol;3-tert-butylphenol;formaldehyde
PubChem CID67925508
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-aminophenol;3-tert-butylphenol;formaldehyde
SMILESC=O.CC(C)(C)c1cccc(O)c1.Nc1cccc(O)c1
InChIInChI=1S/C10H14O.C6H7NO.CH2O/c1-10(2,3)8-5-4-6-9(11)7-8;7-5-2-1-3-6(8)4-5;1-2/h4-7,11H,1-3H3;1-4,8H,7H2;1H2
InChIKeyGQUAMOAAGHFFFJ-UHFFFAOYSA-N
XLogP3.48
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butylaniline;hydrobromide
CID 155928054
3-aminophenol;benzene-1,3-diol;ethane
CID 142022536
3-aminophenol;molecular nitrogen
CID 174840874
3-tert-butylaniline;tert-butylbenzene
CID 158494400
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-aminophenol;2-methylpropanoic acid
CID 70507875
3-aminophenol;4-aminophenol;benzene-1,3-diamine;benzene-1,4-diamine
CID 174818324
bis(benzene-1,3-diol);formaldehyde
CID 174734201
bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane
CID 158377078
3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
CID 145284163
3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
CID 115036820
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347

Frequently Asked Questions

What is the IUPAC name of 3-aminophenol;3-tert-butylphenol;formaldehyde?
The IUPAC name of 3-aminophenol;3-tert-butylphenol;formaldehyde (CID 67925508) is 3-aminophenol;3-tert-butylphenol;formaldehyde.
What is the SMILES notation for 3-aminophenol;3-tert-butylphenol;formaldehyde?
The canonical SMILES for 3-aminophenol;3-tert-butylphenol;formaldehyde is C=O.CC(C)(C)c1cccc(O)c1.Nc1cccc(O)c1.
What is the InChIKey of 3-aminophenol;3-tert-butylphenol;formaldehyde?
The InChIKey is GQUAMOAAGHFFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C6H7NO.CH2O/c1-10(2,3)8-5-4-6-9(11)7-8;7-5-2-1-3-6(8)4-5;1-2/h4-7,11H,1-3H3;1-4,8H,7H2;1H2.
What are the key properties of 3-aminophenol;3-tert-butylphenol;formaldehyde?
3-aminophenol;3-tert-butylphenol;formaldehyde has a molecular weight of 289.38 g/mol, XLogP of 3.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminophenol;3-tert-butylphenol;formaldehyde is sourced from PubChem (CID 67925508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).