ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol

C14H16O5 — CID 68628937

IUPACethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
SMILESOCCO.Oc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O3.C2H6O2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;3-1-2-4/h1-8,13-14H;3-4H,1-2H2
InChIKeyQLNXSPXRQQQBPJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.86
Rot. Bonds3

About ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol

ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol (PubChem CID 68628937) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol.

Molecular Properties

Compound Nameethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
PubChem CID68628937
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
SMILESOCCO.Oc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O3.C2H6O2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;3-1-2-4/h1-8,13-14H;3-4H,1-2H2
InChIKeyQLNXSPXRQQQBPJ-UHFFFAOYSA-N
XLogP1.86
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
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-prop-2-enylphenoxy)phenol
CID 141330239
4-[4-(sulfanylamino)phenoxy]phenol
CID 142074984
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
4-phenoxyphenol;propanoic acid
CID 67658817
4-(4-hydroxyphenoxy)benzamide
CID 60869896
4-[4-[3,5-bis[4-(4-hydroxyphenoxy)phenyl]-1,3,5-triazinan-1-yl]phenoxy]phenol
CID 140912996

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol?
The IUPAC name of ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol (CID 68628937) is ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol.
What is the SMILES notation for ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol?
The canonical SMILES for ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol is OCCO.Oc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol?
The InChIKey is QLNXSPXRQQQBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3.C2H6O2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;3-1-2-4/h1-8,13-14H;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol?
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol has a molecular weight of 264.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol is sourced from PubChem (CID 68628937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).