3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol

C14H13Cl2NO2 — CID 18504590

IUPAC3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
SMILESOc1cc(Cl)c(OCCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c15-12-8-11(18)9-13(16)14(12)19-7-1-2-10-3-5-17-6-4-10/h3-6,8-9,18H,1-2,7H2
InChIKeyGKNDFJRSFNCSPX-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.11
Rot. Bonds5

About 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol

3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol (PubChem CID 18504590) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
PubChem CID18504590
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
SMILESOc1cc(Cl)c(OCCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c15-12-8-11(18)9-13(16)14(12)19-7-1-2-10-3-5-17-6-4-10/h3-6,8-9,18H,1-2,7H2
InChIKeyGKNDFJRSFNCSPX-UHFFFAOYSA-N
XLogP4.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-(2-pyridin-4-ylsulfanylethoxy)phenol
CID 18504693
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol
CID 18504596
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
3-chloro-4-(3-pyridin-4-ylpropoxy)benzenecarbothioamide
CID 63087479
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol
CID 61258005
3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol
CID 54186812
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
CID 29006395
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol?
The IUPAC name of 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol (CID 18504590) is 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol.
What is the SMILES notation for 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol?
The canonical SMILES for 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol is Oc1cc(Cl)c(OCCCc2ccncc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol?
The InChIKey is GKNDFJRSFNCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-12-8-11(18)9-13(16)14(12)19-7-1-2-10-3-5-17-6-4-10/h3-6,8-9,18H,1-2,7H2.
What are the key properties of 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol?
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol has a molecular weight of 298.17 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol is sourced from PubChem (CID 18504590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).