4-chloro-2-ethyl-6-propylphenol

C11H15ClO — CID 3041038

IUPAC4-chloro-2-ethyl-6-propylphenol
SMILESCCCc1cc(Cl)cc(CC)c1O
InChIInChI=1S/C11H15ClO/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h6-7,13H,3-5H2,1-2H3
InChIKeyJVNXTUREBXMKOL-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-2-ethyl-6-propylphenol

4-chloro-2-ethyl-6-propylphenol (PubChem CID 3041038) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-propylphenol.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-propylphenol
PubChem CID3041038
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name4-chloro-2-ethyl-6-propylphenol
SMILESCCCc1cc(Cl)cc(CC)c1O
InChIInChI=1S/C11H15ClO/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h6-7,13H,3-5H2,1-2H3
InChIKeyJVNXTUREBXMKOL-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-propylphenol?
The IUPAC name of 4-chloro-2-ethyl-6-propylphenol (CID 3041038) is 4-chloro-2-ethyl-6-propylphenol.
What is the SMILES notation for 4-chloro-2-ethyl-6-propylphenol?
The canonical SMILES for 4-chloro-2-ethyl-6-propylphenol is CCCc1cc(Cl)cc(CC)c1O.
What is the InChIKey of 4-chloro-2-ethyl-6-propylphenol?
The InChIKey is JVNXTUREBXMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-propylphenol?
4-chloro-2-ethyl-6-propylphenol has a molecular weight of 198.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-propylphenol is sourced from PubChem (CID 3041038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).