3-chloro-4-fluoro-2-methyl-6-propylphenol

C10H12ClFO — CID 154990205

IUPAC3-chloro-4-fluoro-2-methyl-6-propylphenol
SMILESCCCc1cc(F)c(Cl)c(C)c1O
InChIInChI=1S/C10H12ClFO/c1-3-4-7-5-8(12)9(11)6(2)10(7)13/h5,13H,3-4H2,1-2H3
InChIKeyOOZSMOWBRGPBNH-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.45
Rot. Bonds2

About 3-chloro-4-fluoro-2-methyl-6-propylphenol

3-chloro-4-fluoro-2-methyl-6-propylphenol (PubChem CID 154990205) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 3-chloro-4-fluoro-2-methyl-6-propylphenol.

Molecular Properties

Compound Name3-chloro-4-fluoro-2-methyl-6-propylphenol
PubChem CID154990205
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name3-chloro-4-fluoro-2-methyl-6-propylphenol
SMILESCCCc1cc(F)c(Cl)c(C)c1O
InChIInChI=1S/C10H12ClFO/c1-3-4-7-5-8(12)9(11)6(2)10(7)13/h5,13H,3-4H2,1-2H3
InChIKeyOOZSMOWBRGPBNH-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-2-methyl-6-propylphenol?
The IUPAC name of 3-chloro-4-fluoro-2-methyl-6-propylphenol (CID 154990205) is 3-chloro-4-fluoro-2-methyl-6-propylphenol.
What is the SMILES notation for 3-chloro-4-fluoro-2-methyl-6-propylphenol?
The canonical SMILES for 3-chloro-4-fluoro-2-methyl-6-propylphenol is CCCc1cc(F)c(Cl)c(C)c1O.
What is the InChIKey of 3-chloro-4-fluoro-2-methyl-6-propylphenol?
The InChIKey is OOZSMOWBRGPBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-3-4-7-5-8(12)9(11)6(2)10(7)13/h5,13H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-fluoro-2-methyl-6-propylphenol?
3-chloro-4-fluoro-2-methyl-6-propylphenol has a molecular weight of 202.66 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-2-methyl-6-propylphenol is sourced from PubChem (CID 154990205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).