4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol

C22H30O4 — CID 13147095

IUPAC4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol
SMILESCCC(c1ccc(O)c(COC)c1)C(CC)c1ccc(O)c(COC)c1
InChIInChI=1S/C22H30O4/c1-5-19(15-7-9-21(23)17(11-15)13-25-3)20(6-2)16-8-10-22(24)18(12-16)14-26-4/h7-12,19-20,23-24H,5-6,13-14H2,1-4H3
InChIKeyHODIECUQIMNXPH-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.08
Rot. Bonds9

About 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol

4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol (PubChem CID 13147095) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol.

Molecular Properties

Compound Name4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol
PubChem CID13147095
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Name4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol
SMILESCCC(c1ccc(O)c(COC)c1)C(CC)c1ccc(O)c(COC)c1
InChIInChI=1S/C22H30O4/c1-5-19(15-7-9-21(23)17(11-15)13-25-3)20(6-2)16-8-10-22(24)18(12-16)14-26-4/h7-12,19-20,23-24H,5-6,13-14H2,1-4H3
InChIKeyHODIECUQIMNXPH-UHFFFAOYSA-N
XLogP5.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol?
The IUPAC name of 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol (CID 13147095) is 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol.
What is the SMILES notation for 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol?
The canonical SMILES for 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol is CCC(c1ccc(O)c(COC)c1)C(CC)c1ccc(O)c(COC)c1.
What is the InChIKey of 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol?
The InChIKey is HODIECUQIMNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4/c1-5-19(15-7-9-21(23)17(11-15)13-25-3)20(6-2)16-8-10-22(24)18(12-16)14-26-4/h7-12,19-20,23-24H,5-6,13-14H2,1-4H3.
What are the key properties of 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol?
4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol has a molecular weight of 358.48 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-hydroxy-3-(methoxymethyl)phenyl]hexan-3-yl]-2-(methoxymethyl)phenol is sourced from PubChem (CID 13147095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).