4-propylphenol

C9H12O — CID 12580

IUPAC4-propylphenol
SMILESCCCc1ccc(O)cc1
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChIKeyKLSLBUSXWBJMEC-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.34
Rot. Bonds2

About 4-propylphenol

4-propylphenol (PubChem CID 12580) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-propylphenol.

Molecular Properties

Compound Name4-propylphenol
PubChem CID12580
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-propylphenol
SMILESCCCc1ccc(O)cc1
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChIKeyKLSLBUSXWBJMEC-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propylphenol?
The IUPAC name of 4-propylphenol (CID 12580) is 4-propylphenol.
What is the SMILES notation for 4-propylphenol?
The canonical SMILES for 4-propylphenol is CCCc1ccc(O)cc1.
What is the InChIKey of 4-propylphenol?
The InChIKey is KLSLBUSXWBJMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3.
What are the key properties of 4-propylphenol?
4-propylphenol has a molecular weight of 136.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylphenol is sourced from PubChem (CID 12580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).