3-methoxy-5-propylphenol

C10H14O2 — CID 15660282

IUPAC3-methoxy-5-propylphenol
SMILESCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-9(11)7-10(6-8)12-2/h5-7,11H,3-4H2,1-2H3
InChIKeyILWXLUGUJRYVST-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.35
Rot. Bonds3

About 3-methoxy-5-propylphenol

3-methoxy-5-propylphenol (PubChem CID 15660282) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methoxy-5-propylphenol.

Molecular Properties

Compound Name3-methoxy-5-propylphenol
PubChem CID15660282
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-methoxy-5-propylphenol
SMILESCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-9(11)7-10(6-8)12-2/h5-7,11H,3-4H2,1-2H3
InChIKeyILWXLUGUJRYVST-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-propylphenol?
The IUPAC name of 3-methoxy-5-propylphenol (CID 15660282) is 3-methoxy-5-propylphenol.
What is the SMILES notation for 3-methoxy-5-propylphenol?
The canonical SMILES for 3-methoxy-5-propylphenol is CCCc1cc(O)cc(OC)c1.
What is the InChIKey of 3-methoxy-5-propylphenol?
The InChIKey is ILWXLUGUJRYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-5-9(11)7-10(6-8)12-2/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-5-propylphenol?
3-methoxy-5-propylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-propylphenol is sourced from PubChem (CID 15660282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).