4-butylphenol

C10H14O — CID 15420

IUPAC4-butylphenol
SMILESCCCCc1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
InChIKeyCYYZDBDROVLTJU-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.73
Rot. Bonds3

About 4-butylphenol

4-butylphenol (PubChem CID 15420) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-butylphenol.

Molecular Properties

Compound Name4-butylphenol
PubChem CID15420
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-butylphenol
SMILESCCCCc1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
InChIKeyCYYZDBDROVLTJU-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butylphenol?
The IUPAC name of 4-butylphenol (CID 15420) is 4-butylphenol.
What is the SMILES notation for 4-butylphenol?
The canonical SMILES for 4-butylphenol is CCCCc1ccc(O)cc1.
What is the InChIKey of 4-butylphenol?
The InChIKey is CYYZDBDROVLTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 4-butylphenol?
4-butylphenol has a molecular weight of 150.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphenol is sourced from PubChem (CID 15420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).