2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol

C14H14ClNO2 — CID 83130705

IUPAC2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol
SMILESCC(C)Oc1cncc(-c2ccc(Cl)c(O)c2)c1
InChIInChI=1S/C14H14ClNO2/c1-9(2)18-12-5-11(7-16-8-12)10-3-4-13(15)14(17)6-10/h3-9,17H,1-2H3
InChIKeyVMNDVUXBQBHRIA-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol

2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol (PubChem CID 83130705) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol.

Molecular Properties

Compound Name2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol
PubChem CID83130705
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol
SMILESCC(C)Oc1cncc(-c2ccc(Cl)c(O)c2)c1
InChIInChI=1S/C14H14ClNO2/c1-9(2)18-12-5-11(7-16-8-12)10-3-4-13(15)14(17)6-10/h3-9,17H,1-2H3
InChIKeyVMNDVUXBQBHRIA-UHFFFAOYSA-N
XLogP3.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol?
The IUPAC name of 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol (CID 83130705) is 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol.
What is the SMILES notation for 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol?
The canonical SMILES for 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol is CC(C)Oc1cncc(-c2ccc(Cl)c(O)c2)c1.
What is the InChIKey of 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol?
The InChIKey is VMNDVUXBQBHRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9(2)18-12-5-11(7-16-8-12)10-3-4-13(15)14(17)6-10/h3-9,17H,1-2H3.
What are the key properties of 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol?
2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol has a molecular weight of 263.72 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-propan-2-yloxy-3-pyridinyl)phenol is sourced from PubChem (CID 83130705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).