3-propoxy-4-propylphenol

C12H18O2 — CID 22123839

IUPAC3-propoxy-4-propylphenol
SMILESCCCOc1cc(O)ccc1CCC
InChIInChI=1S/C12H18O2/c1-3-5-10-6-7-11(13)9-12(10)14-8-4-2/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyFEIMQOWGOVLLCM-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.13
Rot. Bonds5

About 3-propoxy-4-propylphenol

3-propoxy-4-propylphenol (PubChem CID 22123839) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-propoxy-4-propylphenol.

Molecular Properties

Compound Name3-propoxy-4-propylphenol
PubChem CID22123839
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-propoxy-4-propylphenol
SMILESCCCOc1cc(O)ccc1CCC
InChIInChI=1S/C12H18O2/c1-3-5-10-6-7-11(13)9-12(10)14-8-4-2/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyFEIMQOWGOVLLCM-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

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Related Compounds

3-propan-2-yloxy-4-propylphenol
CID 20571185
4-propoxybenzene-1,3-diol
CID 66563298
11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid
CID 68915235
3-butoxy-4-methylphenol
CID 54016675
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
2-propoxy-5-propyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 154277902
3-butoxy-4-fluorophenol
CID 174949463
bis(4-propoxy-3-propylphenyl)silane
CID 159991250
4-ethyl-3-prop-2-enoxyphenol
CID 18512145
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
3-propoxy-4-(triazin-4-yl)phenol
CID 175356712
2-butoxy-4-hydroxybenzoic acid
CID 70316659

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-4-propylphenol?
The IUPAC name of 3-propoxy-4-propylphenol (CID 22123839) is 3-propoxy-4-propylphenol.
What is the SMILES notation for 3-propoxy-4-propylphenol?
The canonical SMILES for 3-propoxy-4-propylphenol is CCCOc1cc(O)ccc1CCC.
What is the InChIKey of 3-propoxy-4-propylphenol?
The InChIKey is FEIMQOWGOVLLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-10-6-7-11(13)9-12(10)14-8-4-2/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 3-propoxy-4-propylphenol?
3-propoxy-4-propylphenol 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-propoxy-4-propylphenol is sourced from PubChem (CID 22123839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).