2-butylphenol

C10H14O — CID 18515

IUPAC2-butylphenol
SMILESCCCCc1ccccc1O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyGJYCVCVHRSWLNY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.73
Rot. Bonds3

About 2-butylphenol

2-butylphenol (PubChem CID 18515) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-butylphenol.

Molecular Properties

Compound Name2-butylphenol
PubChem CID18515
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-butylphenol
SMILESCCCCc1ccccc1O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyGJYCVCVHRSWLNY-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 2-butylphenol?
The IUPAC name of 2-butylphenol (CID 18515) is 2-butylphenol.
What is the SMILES notation for 2-butylphenol?
The canonical SMILES for 2-butylphenol is CCCCc1ccccc1O.
What is the InChIKey of 2-butylphenol?
The InChIKey is GJYCVCVHRSWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of 2-butylphenol?
2-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 2-butylphenol is sourced from PubChem (CID 18515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).