2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol

C17H28O2 — CID 143920624

IUPAC2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol
SMILESCCCC(CCC)c1cc(CC)c(O)c(COC)c1
InChIInChI=1S/C17H28O2/c1-5-8-14(9-6-2)15-10-13(7-3)17(18)16(11-15)12-19-4/h10-11,14,18H,5-9,12H2,1-4H3
InChIKeyXZVMVQWUOSUTLG-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.78
Rot. Bonds8

About 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol

2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol (PubChem CID 143920624) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol
PubChem CID143920624
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol
SMILESCCCC(CCC)c1cc(CC)c(O)c(COC)c1
InChIInChI=1S/C17H28O2/c1-5-8-14(9-6-2)15-10-13(7-3)17(18)16(11-15)12-19-4/h10-11,14,18H,5-9,12H2,1-4H3
InChIKeyXZVMVQWUOSUTLG-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol?
The IUPAC name of 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol (CID 143920624) is 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol.
What is the SMILES notation for 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol?
The canonical SMILES for 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol is CCCC(CCC)c1cc(CC)c(O)c(COC)c1.
What is the InChIKey of 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol?
The InChIKey is XZVMVQWUOSUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-8-14(9-6-2)15-10-13(7-3)17(18)16(11-15)12-19-4/h10-11,14,18H,5-9,12H2,1-4H3.
What are the key properties of 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol?
2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol has a molecular weight of 264.41 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol is sourced from PubChem (CID 143920624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).