3-propan-2-yloxy-4-propylphenol

C12H18O2 — CID 20571185

IUPAC3-propan-2-yloxy-4-propylphenol
SMILESCCCc1ccc(O)cc1OC(C)C
InChIInChI=1S/C12H18O2/c1-4-5-10-6-7-11(13)8-12(10)14-9(2)3/h6-9,13H,4-5H2,1-3H3
InChIKeyMDDQDLNPCJQIKZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.13
Rot. Bonds4

About 3-propan-2-yloxy-4-propylphenol

3-propan-2-yloxy-4-propylphenol (PubChem CID 20571185) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-propan-2-yloxy-4-propylphenol.

Molecular Properties

Compound Name3-propan-2-yloxy-4-propylphenol
PubChem CID20571185
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-propan-2-yloxy-4-propylphenol
SMILESCCCc1ccc(O)cc1OC(C)C
InChIInChI=1S/C12H18O2/c1-4-5-10-6-7-11(13)8-12(10)14-9(2)3/h6-9,13H,4-5H2,1-3H3
InChIKeyMDDQDLNPCJQIKZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-4-propylphenol?
The IUPAC name of 3-propan-2-yloxy-4-propylphenol (CID 20571185) is 3-propan-2-yloxy-4-propylphenol.
What is the SMILES notation for 3-propan-2-yloxy-4-propylphenol?
The canonical SMILES for 3-propan-2-yloxy-4-propylphenol is CCCc1ccc(O)cc1OC(C)C.
What is the InChIKey of 3-propan-2-yloxy-4-propylphenol?
The InChIKey is MDDQDLNPCJQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-5-10-6-7-11(13)8-12(10)14-9(2)3/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-4-propylphenol?
3-propan-2-yloxy-4-propylphenol has a molecular weight of 194.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-4-propylphenol is sourced from PubChem (CID 20571185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).