4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol

C18H23NO2 — CID 101010463

IUPAC4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
SMILESOc1ccc(CCCNCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO2/c20-17-9-5-15(6-10-17)3-1-13-19-14-2-4-16-7-11-18(21)12-8-16/h5-12,19-21H,1-4,13-14H2
InChIKeyQOJKCVJMXCPGGW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds8

About 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol

4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol (PubChem CID 101010463) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol.

Molecular Properties

Compound Name4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
PubChem CID101010463
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
SMILESOc1ccc(CCCNCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO2/c20-17-9-5-15(6-10-17)3-1-13-19-14-2-4-16-7-11-18(21)12-8-16/h5-12,19-21H,1-4,13-14H2
InChIKeyQOJKCVJMXCPGGW-UHFFFAOYSA-N
XLogP3.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(pentylamino)ethyl]phenol
CID 61236551
4-[3-(2-methylbutylamino)propyl]phenol
CID 115887589
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[2-(4-methylsulfanylbutylamino)ethyl]phenol
CID 103087893
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
4-(3-fluoropropyl)phenol
CID 68765958
4-(3-aminopropyl)phenol
CID 4574248
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
5-[4-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]phenoxy]-5-oxopentanoic acid
CID 51352661
2-(4-hydroxyphenyl)ethylazanium
CID 5249538

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol?
The IUPAC name of 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol (CID 101010463) is 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol.
What is the SMILES notation for 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol?
The canonical SMILES for 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol is Oc1ccc(CCCNCCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol?
The InChIKey is QOJKCVJMXCPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17-9-5-15(6-10-17)3-1-13-19-14-2-4-16-7-11-18(21)12-8-16/h5-12,19-21H,1-4,13-14H2.
What are the key properties of 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol?
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol is sourced from PubChem (CID 101010463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).