4-fluoro-2-propylphenol

C9H11FO — CID 23424012

IUPAC4-fluoro-2-propylphenol
SMILESCCCc1cc(F)ccc1O
InChIInChI=1S/C9H11FO/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6,11H,2-3H2,1H3
InChIKeyBQWYJUVFIXTFHH-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.48
Rot. Bonds2

About 4-fluoro-2-propylphenol

4-fluoro-2-propylphenol (PubChem CID 23424012) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 4-fluoro-2-propylphenol.

Molecular Properties

Compound Name4-fluoro-2-propylphenol
PubChem CID23424012
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name4-fluoro-2-propylphenol
SMILESCCCc1cc(F)ccc1O
InChIInChI=1S/C9H11FO/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6,11H,2-3H2,1H3
InChIKeyBQWYJUVFIXTFHH-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propylphenol?
The IUPAC name of 4-fluoro-2-propylphenol (CID 23424012) is 4-fluoro-2-propylphenol.
What is the SMILES notation for 4-fluoro-2-propylphenol?
The canonical SMILES for 4-fluoro-2-propylphenol is CCCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-propylphenol?
The InChIKey is BQWYJUVFIXTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6,11H,2-3H2,1H3.
What are the key properties of 4-fluoro-2-propylphenol?
4-fluoro-2-propylphenol has a molecular weight of 154.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propylphenol is sourced from PubChem (CID 23424012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).