2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol

C22H16O4 — CID 175775609

IUPAC2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
SMILESOc1ccccc1Oc1ccc2cc(Oc3ccccc3O)ccc2c1
InChIInChI=1S/C22H16O4/c23-19-5-1-3-7-21(19)25-17-11-9-16-14-18(12-10-15(16)13-17)26-22-8-4-2-6-20(22)24/h1-14,23-24H
InChIKeyPUPPSMIGBNKYMY-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.84
Rot. Bonds4

About 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol

2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol (PubChem CID 175775609) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol.

Molecular Properties

Compound Name2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
PubChem CID175775609
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
SMILESOc1ccccc1Oc1ccc2cc(Oc3ccccc3O)ccc2c1
InChIInChI=1S/C22H16O4/c23-19-5-1-3-7-21(19)25-17-11-9-16-14-18(12-10-15(16)13-17)26-22-8-4-2-6-20(22)24/h1-14,23-24H
InChIKeyPUPPSMIGBNKYMY-UHFFFAOYSA-N
XLogP5.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol?
The IUPAC name of 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol (CID 175775609) is 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol.
What is the SMILES notation for 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol?
The canonical SMILES for 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol is Oc1ccccc1Oc1ccc2cc(Oc3ccccc3O)ccc2c1.
What is the InChIKey of 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol?
The InChIKey is PUPPSMIGBNKYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c23-19-5-1-3-7-21(19)25-17-11-9-16-14-18(12-10-15(16)13-17)26-22-8-4-2-6-20(22)24/h1-14,23-24H.
What are the key properties of 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol?
2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol has a molecular weight of 344.37 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol is sourced from PubChem (CID 175775609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).