2,3-diphenoxynaphthalene-1,4-diol

C22H16O4 — CID 19886586

IUPAC2,3-diphenoxynaphthalene-1,4-diol
SMILESOc1c(Oc2ccccc2)c(Oc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C22H16O4/c23-19-17-13-7-8-14-18(17)20(24)22(26-16-11-5-2-6-12-16)21(19)25-15-9-3-1-4-10-15/h1-14,23-24H
InChIKeyFWOLBWUDWCCCSG-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.84
Rot. Bonds4

About 2,3-diphenoxynaphthalene-1,4-diol

2,3-diphenoxynaphthalene-1,4-diol (PubChem CID 19886586) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2,3-diphenoxynaphthalene-1,4-diol.

Molecular Properties

Compound Name2,3-diphenoxynaphthalene-1,4-diol
PubChem CID19886586
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name2,3-diphenoxynaphthalene-1,4-diol
SMILESOc1c(Oc2ccccc2)c(Oc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C22H16O4/c23-19-17-13-7-8-14-18(17)20(24)22(26-16-11-5-2-6-12-16)21(19)25-15-9-3-1-4-10-15/h1-14,23-24H
InChIKeyFWOLBWUDWCCCSG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(4-chlorophenoxy)naphthalene-1,4-diol
CID 19886874
acetic acid;6-chloro-2,3-diphenoxynaphthalene-1,4-diol
CID 71331804
1-phenoxynaphthalen-2-ol
CID 5271325
2,5-dihydroxy-3,4-diphenoxybenzoic acid
CID 175281824
4-methoxy-2-phenoxynaphthalen-1-ol
CID 19872952
10-(phenoxymethoxy)phenanthren-9-ol
CID 134937916
(7-chloro-4-hydroxy-2,3-diphenoxynaphthalen-1-yl) acetate
CID 23038628
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
2-methyl-3-phenoxybenzene-1,4-diol
CID 22159501
5-phenoxybenzene-1,2,3-triol
CID 14020516
iron;phenoxybenzene
CID 174434720

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenoxynaphthalene-1,4-diol?
The IUPAC name of 2,3-diphenoxynaphthalene-1,4-diol (CID 19886586) is 2,3-diphenoxynaphthalene-1,4-diol.
What is the SMILES notation for 2,3-diphenoxynaphthalene-1,4-diol?
The canonical SMILES for 2,3-diphenoxynaphthalene-1,4-diol is Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 2,3-diphenoxynaphthalene-1,4-diol?
The InChIKey is FWOLBWUDWCCCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c23-19-17-13-7-8-14-18(17)20(24)22(26-16-11-5-2-6-12-16)21(19)25-15-9-3-1-4-10-15/h1-14,23-24H.
What are the key properties of 2,3-diphenoxynaphthalene-1,4-diol?
2,3-diphenoxynaphthalene-1,4-diol 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 2,3-diphenoxynaphthalene-1,4-diol is sourced from PubChem (CID 19886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).