4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol

C22H22O6 — CID 164929839

IUPAC4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol
SMILESOc1ccc(COC(OCc2ccc(O)cc2)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C22H22O6/c23-19-7-1-16(2-8-19)13-26-22(27-14-17-3-9-20(24)10-4-17)28-15-18-5-11-21(25)12-6-18/h1-12,22-25H,13-15H2
InChIKeyOYINUUUNNCRTIE-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.04
Rot. Bonds9

About 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol

4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol (PubChem CID 164929839) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol.

Molecular Properties

Compound Name4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol
PubChem CID164929839
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol
SMILESOc1ccc(COC(OCc2ccc(O)cc2)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C22H22O6/c23-19-7-1-16(2-8-19)13-26-22(27-14-17-3-9-20(24)10-4-17)28-15-18-5-11-21(25)12-6-18/h1-12,22-25H,13-15H2
InChIKeyOYINUUUNNCRTIE-UHFFFAOYSA-N
XLogP4.04
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol?
The IUPAC name of 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol (CID 164929839) is 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol.
What is the SMILES notation for 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol?
The canonical SMILES for 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol is Oc1ccc(COC(OCc2ccc(O)cc2)OCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol?
The InChIKey is OYINUUUNNCRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c23-19-7-1-16(2-8-19)13-26-22(27-14-17-3-9-20(24)10-4-17)28-15-18-5-11-21(25)12-6-18/h1-12,22-25H,13-15H2.
What are the key properties of 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol?
4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol has a molecular weight of 382.41 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol is sourced from PubChem (CID 164929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).