bis(4-(4-hydroxyphenoxy)phenol);hydrate

C24H22O7 — CID 67711282

IUPACbis(4-(4-hydroxyphenoxy)phenol);hydrate
SMILESO.Oc1ccc(Oc2ccc(O)cc2)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/2C12H10O3.H2O/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h2*1-8,13-14H;1H2
InChIKeyMCAISKFOMXKJGZ-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.96
Rot. Bonds4

About bis(4-(4-hydroxyphenoxy)phenol);hydrate

bis(4-(4-hydroxyphenoxy)phenol);hydrate (PubChem CID 67711282) has the molecular formula C24H22O7 and a molecular weight of 422.43 g/mol. Its IUPAC name is bis(4-(4-hydroxyphenoxy)phenol);hydrate.

Molecular Properties

Compound Namebis(4-(4-hydroxyphenoxy)phenol);hydrate
PubChem CID67711282
Molecular FormulaC24H22O7
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Namebis(4-(4-hydroxyphenoxy)phenol);hydrate
SMILESO.Oc1ccc(Oc2ccc(O)cc2)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/2C12H10O3.H2O/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h2*1-8,13-14H;1H2
InChIKeyMCAISKFOMXKJGZ-UHFFFAOYSA-N
XLogP4.96
TPSA130.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
4-(4-iodophenoxy)phenol
CID 12940617
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
4-[4-(sulfanylamino)phenoxy]phenol
CID 142074984
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[4-[3,5-bis[4-(4-hydroxyphenoxy)phenyl]-1,3,5-triazinan-1-yl]phenoxy]phenol
CID 140912996
4-(4-hydroxyphenoxy)benzamide
CID 60869896
2-(4-hydroxyphenoxy)benzene-1,3,5-triol
CID 14020522
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
bis[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)sulfanium
CID 162474039

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-hydroxyphenoxy)phenol);hydrate?
The IUPAC name of bis(4-(4-hydroxyphenoxy)phenol);hydrate (CID 67711282) is bis(4-(4-hydroxyphenoxy)phenol);hydrate.
What is the SMILES notation for bis(4-(4-hydroxyphenoxy)phenol);hydrate?
The canonical SMILES for bis(4-(4-hydroxyphenoxy)phenol);hydrate is O.Oc1ccc(Oc2ccc(O)cc2)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-(4-hydroxyphenoxy)phenol);hydrate?
The InChIKey is MCAISKFOMXKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10O3.H2O/c2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h2*1-8,13-14H;1H2.
What are the key properties of bis(4-(4-hydroxyphenoxy)phenol);hydrate?
bis(4-(4-hydroxyphenoxy)phenol);hydrate has a molecular weight of 422.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-hydroxyphenoxy)phenol);hydrate is sourced from PubChem (CID 67711282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).