2,4-bis(methoxymethyl)-6-propan-2-ylphenol

C13H20O3 — CID 141487661

IUPAC2,4-bis(methoxymethyl)-6-propan-2-ylphenol
SMILESCOCc1cc(COC)c(O)c(C(C)C)c1
InChIInChI=1S/C13H20O3/c1-9(2)12-6-10(7-15-3)5-11(8-16-4)13(12)14/h5-6,9,14H,7-8H2,1-4H3
InChIKeyIKKPVRNNOPPEKL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.81
Rot. Bonds5

About 2,4-bis(methoxymethyl)-6-propan-2-ylphenol

2,4-bis(methoxymethyl)-6-propan-2-ylphenol (PubChem CID 141487661) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,4-bis(methoxymethyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2,4-bis(methoxymethyl)-6-propan-2-ylphenol
PubChem CID141487661
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2,4-bis(methoxymethyl)-6-propan-2-ylphenol
SMILESCOCc1cc(COC)c(O)c(C(C)C)c1
InChIInChI=1S/C13H20O3/c1-9(2)12-6-10(7-15-3)5-11(8-16-4)13(12)14/h5-6,9,14H,7-8H2,1-4H3
InChIKeyIKKPVRNNOPPEKL-UHFFFAOYSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methoxymethyl)-6-propan-2-ylphenol?
The IUPAC name of 2,4-bis(methoxymethyl)-6-propan-2-ylphenol (CID 141487661) is 2,4-bis(methoxymethyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2,4-bis(methoxymethyl)-6-propan-2-ylphenol?
The canonical SMILES for 2,4-bis(methoxymethyl)-6-propan-2-ylphenol is COCc1cc(COC)c(O)c(C(C)C)c1.
What is the InChIKey of 2,4-bis(methoxymethyl)-6-propan-2-ylphenol?
The InChIKey is IKKPVRNNOPPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)12-6-10(7-15-3)5-11(8-16-4)13(12)14/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 2,4-bis(methoxymethyl)-6-propan-2-ylphenol?
2,4-bis(methoxymethyl)-6-propan-2-ylphenol has a molecular weight of 224.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methoxymethyl)-6-propan-2-ylphenol is sourced from PubChem (CID 141487661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).