4-[2-(4-hydroxyanilino)propyl]phenol

C15H17NO2 — CID 113322859

IUPAC4-[2-(4-hydroxyanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C15H17NO2/c1-11(10-12-2-6-14(17)7-3-12)16-13-4-8-15(18)9-5-13/h2-9,11,16-18H,10H2,1H3
InChIKeyDQCOZXNDBLGJDL-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.14
Rot. Bonds4

About 4-[2-(4-hydroxyanilino)propyl]phenol

4-[2-(4-hydroxyanilino)propyl]phenol (PubChem CID 113322859) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[2-(4-hydroxyanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyanilino)propyl]phenol
PubChem CID113322859
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[2-(4-hydroxyanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C15H17NO2/c1-11(10-12-2-6-14(17)7-3-12)16-13-4-8-15(18)9-5-13/h2-9,11,16-18H,10H2,1H3
InChIKeyDQCOZXNDBLGJDL-UHFFFAOYSA-N
XLogP3.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
2-fluoro-5-[1-(4-hydroxyphenyl)propan-2-ylamino]benzoic acid
CID 115494141
2-chloro-4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzonitrile
CID 115494021
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
CID 145300151
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 143748239

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyanilino)propyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyanilino)propyl]phenol (CID 113322859) is 4-[2-(4-hydroxyanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyanilino)propyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyanilino)propyl]phenol is CC(Cc1ccc(O)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyanilino)propyl]phenol?
The InChIKey is DQCOZXNDBLGJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(10-12-2-6-14(17)7-3-12)16-13-4-8-15(18)9-5-13/h2-9,11,16-18H,10H2,1H3.
What are the key properties of 4-[2-(4-hydroxyanilino)propyl]phenol?
4-[2-(4-hydroxyanilino)propyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyanilino)propyl]phenol is sourced from PubChem (CID 113322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).