4-aminophenol;dodecanoic acid

C18H31NO3 — CID 157063847

IUPAC4-aminophenol;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.Nc1ccc(O)cc1
InChIInChI=1S/C12H24O2.C6H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-5-1-3-6(8)4-2-5/h2-11H2,1H3,(H,13,14);1-4,8H,7H2
InChIKeyABQHSIHXNQDICH-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.97
Rot. Bonds10

About 4-aminophenol;dodecanoic acid

4-aminophenol;dodecanoic acid (PubChem CID 157063847) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-aminophenol;dodecanoic acid.

Molecular Properties

Compound Name4-aminophenol;dodecanoic acid
PubChem CID157063847
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name4-aminophenol;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.Nc1ccc(O)cc1
InChIInChI=1S/C12H24O2.C6H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-5-1-3-6(8)4-2-5/h2-11H2,1H3,(H,13,14);1-4,8H,7H2
InChIKeyABQHSIHXNQDICH-UHFFFAOYSA-N
XLogP4.97
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-aminophenol;dodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-aminobenzoic acid;octadecanoic acid;titanium;dihydrate
CID 88657157
calcium;hydride;octadecanoic acid;phenol
CID 173411979
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
benzene-1,3-diol;decanoic acid
CID 175490572
benzene-1,3-diol;bis(heptadecanoic acid)
CID 159990234
benzene-1,2,3,4,5,6-hexol;pentakis(octadecanoic acid)
CID 160555816
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
octadecanoic acid
CID 157075632
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid
CID 163854999

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;dodecanoic acid?
The IUPAC name of 4-aminophenol;dodecanoic acid (CID 157063847) is 4-aminophenol;dodecanoic acid.
What is the SMILES notation for 4-aminophenol;dodecanoic acid?
The canonical SMILES for 4-aminophenol;dodecanoic acid is CCCCCCCCCCCC(=O)O.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;dodecanoic acid?
The InChIKey is ABQHSIHXNQDICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C6H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-5-1-3-6(8)4-2-5/h2-11H2,1H3,(H,13,14);1-4,8H,7H2.
What are the key properties of 4-aminophenol;dodecanoic acid?
4-aminophenol;dodecanoic acid has a molecular weight of 309.45 g/mol, XLogP of 4.97, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;dodecanoic acid is sourced from PubChem (CID 157063847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).