5-methyl-2-pentylphenol

C12H18O — CID 14759

IUPAC5-methyl-2-pentylphenol
SMILESCCCCCc1ccc(C)cc1O
InChIInChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
InChIKeyCKGWFZQGEQJZIL-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.43
Rot. Bonds4

About 5-methyl-2-pentylphenol

5-methyl-2-pentylphenol (PubChem CID 14759) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-methyl-2-pentylphenol.

Molecular Properties

Compound Name5-methyl-2-pentylphenol
PubChem CID14759
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name5-methyl-2-pentylphenol
SMILESCCCCCc1ccc(C)cc1O
InChIInChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
InChIKeyCKGWFZQGEQJZIL-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentylphenol?
The IUPAC name of 5-methyl-2-pentylphenol (CID 14759) is 5-methyl-2-pentylphenol.
What is the SMILES notation for 5-methyl-2-pentylphenol?
The canonical SMILES for 5-methyl-2-pentylphenol is CCCCCc1ccc(C)cc1O.
What is the InChIKey of 5-methyl-2-pentylphenol?
The InChIKey is CKGWFZQGEQJZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-pentylphenol?
5-methyl-2-pentylphenol has a molecular weight of 178.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentylphenol is sourced from PubChem (CID 14759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).