4,6-diphenoxybenzene-1,3-diol

C18H14O4 — CID 90212443

IUPAC4,6-diphenoxybenzene-1,3-diol
SMILESOc1cc(O)c(Oc2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C18H14O4/c19-15-11-16(20)18(22-14-9-5-2-6-10-14)12-17(15)21-13-7-3-1-4-8-13/h1-12,19-20H
InChIKeyKCPPGTSSNMVPBW-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.68
Rot. Bonds4

About 4,6-diphenoxybenzene-1,3-diol

4,6-diphenoxybenzene-1,3-diol (PubChem CID 90212443) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4,6-diphenoxybenzene-1,3-diol.

Molecular Properties

Compound Name4,6-diphenoxybenzene-1,3-diol
PubChem CID90212443
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name4,6-diphenoxybenzene-1,3-diol
SMILESOc1cc(O)c(Oc2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C18H14O4/c19-15-11-16(20)18(22-14-9-5-2-6-10-14)12-17(15)21-13-7-3-1-4-8-13/h1-12,19-20H
InChIKeyKCPPGTSSNMVPBW-UHFFFAOYSA-N
XLogP4.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-phenoxybenzene-1,2-diol
CID 122706591
3-phenoxybenzene-1,2-diol;4-phenoxybenzene-1,3-diol
CID 70468800
5-phenoxybenzene-1,2,3-triol
CID 14020516
4-methoxy-2-phenoxynaphthalen-1-ol
CID 19872952
4-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
ethane;1-methyl-2-phenoxybenzene
CID 90950955
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
2-iodo-4-phenoxyphenol
CID 10710201

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenoxybenzene-1,3-diol?
The IUPAC name of 4,6-diphenoxybenzene-1,3-diol (CID 90212443) is 4,6-diphenoxybenzene-1,3-diol.
What is the SMILES notation for 4,6-diphenoxybenzene-1,3-diol?
The canonical SMILES for 4,6-diphenoxybenzene-1,3-diol is Oc1cc(O)c(Oc2ccccc2)cc1Oc1ccccc1.
What is the InChIKey of 4,6-diphenoxybenzene-1,3-diol?
The InChIKey is KCPPGTSSNMVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-15-11-16(20)18(22-14-9-5-2-6-10-14)12-17(15)21-13-7-3-1-4-8-13/h1-12,19-20H.
What are the key properties of 4,6-diphenoxybenzene-1,3-diol?
4,6-diphenoxybenzene-1,3-diol has a molecular weight of 294.31 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenoxybenzene-1,3-diol is sourced from PubChem (CID 90212443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).