2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol

C14H13Cl2NO2 — CID 107663404

IUPAC2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
SMILESCCCOc1cncc(-c2cc(Cl)c(O)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-2-3-19-10-4-9(7-17-8-10)11-5-13(16)14(18)6-12(11)15/h4-8,18H,2-3H2,1H3
InChIKeyKTGAWGUPBVZQTJ-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.55
Rot. Bonds4

About 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol

2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol (PubChem CID 107663404) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
PubChem CID107663404
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
SMILESCCCOc1cncc(-c2cc(Cl)c(O)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-2-3-19-10-4-9(7-17-8-10)11-5-13(16)14(18)6-12(11)15/h4-8,18H,2-3H2,1H3
InChIKeyKTGAWGUPBVZQTJ-UHFFFAOYSA-N
XLogP4.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
CID 107663406
2,5-dichloro-4-(5-fluoro-3-pyridinyl)phenol
CID 107663314
6-(5-propoxy-3-pyridinyl)pyridin-3-ol
CID 83129184
4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 167815932
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
2-(5-ethoxy-3-pyridinyl)-4-methylphenol
CID 83131203
2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
CID 83131100
3-chloro-4-(5-ethoxy-3-pyridinyl)benzaldehyde
CID 114076484
2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
CID 107663304
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol
CID 131970987

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol?
The IUPAC name of 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol (CID 107663404) is 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol is CCCOc1cncc(-c2cc(Cl)c(O)cc2Cl)c1.
What is the InChIKey of 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol?
The InChIKey is KTGAWGUPBVZQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-2-3-19-10-4-9(7-17-8-10)11-5-13(16)14(18)6-12(11)15/h4-8,18H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol?
2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol has a molecular weight of 298.17 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol is sourced from PubChem (CID 107663404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).