2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol

C14H13Cl2NO2 — CID 107663406

IUPAC2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
SMILESCC(C)Oc1cncc(-c2cc(Cl)c(O)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-8(2)19-10-3-9(6-17-7-10)11-4-13(16)14(18)5-12(11)15/h3-8,18H,1-2H3
InChIKeyCUBZOKCZZHYWSC-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.55
Rot. Bonds3

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

2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol (PubChem CID 107663406) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
PubChem CID107663406
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
SMILESCC(C)Oc1cncc(-c2cc(Cl)c(O)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-8(2)19-10-3-9(6-17-7-10)11-4-13(16)14(18)5-12(11)15/h3-8,18H,1-2H3
InChIKeyCUBZOKCZZHYWSC-UHFFFAOYSA-N
XLogP4.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol?
The IUPAC name of 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol (CID 107663406) is 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol is CC(C)Oc1cncc(-c2cc(Cl)c(O)cc2Cl)c1.
What is the InChIKey of 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol?
The InChIKey is CUBZOKCZZHYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-8(2)19-10-3-9(6-17-7-10)11-4-13(16)14(18)5-12(11)15/h3-8,18H,1-2H3.
What are the key properties of 2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol?
2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol has a molecular weight of 298.17 g/mol, XLogP of 4.55, 3 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-propan-2-yloxy-3-pyridinyl)phenol is sourced from PubChem (CID 107663406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).