3-methoxy-5-pentylphenol

C12H18O2 — CID 14757449

IUPAC3-methoxy-5-pentylphenol
SMILESCCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)9-12(8-10)14-2/h7-9,13H,3-6H2,1-2H3
InChIKeyMWWIDYNYLZQEQP-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.13
Rot. Bonds5

About 3-methoxy-5-pentylphenol

3-methoxy-5-pentylphenol (PubChem CID 14757449) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methoxy-5-pentylphenol.

Molecular Properties

Compound Name3-methoxy-5-pentylphenol
PubChem CID14757449
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methoxy-5-pentylphenol
SMILESCCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)9-12(8-10)14-2/h7-9,13H,3-6H2,1-2H3
InChIKeyMWWIDYNYLZQEQP-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methoxy-5-pentylphenol?
The IUPAC name of 3-methoxy-5-pentylphenol (CID 14757449) is 3-methoxy-5-pentylphenol.
What is the SMILES notation for 3-methoxy-5-pentylphenol?
The canonical SMILES for 3-methoxy-5-pentylphenol is CCCCCc1cc(O)cc(OC)c1.
What is the InChIKey of 3-methoxy-5-pentylphenol?
The InChIKey is MWWIDYNYLZQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)9-12(8-10)14-2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-5-pentylphenol?
3-methoxy-5-pentylphenol has a molecular weight of 194.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-pentylphenol is sourced from PubChem (CID 14757449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).