2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol

C20H14O5 — CID 171422420

IUPAC2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol
SMILESOc1cccc2c(O)c(Oc3ccc4c(O)cccc4c3O)ccc12
InChIInChI=1S/C20H14O5/c21-15-5-1-3-13-11(15)7-9-17(19(13)23)25-18-10-8-12-14(20(18)24)4-2-6-16(12)22/h1-10,21-24H
InChIKeyNPPVYAUOCJRPGZ-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.61
Rot. Bonds2

About 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol

2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol (PubChem CID 171422420) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol.

Molecular Properties

Compound Name2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol
PubChem CID171422420
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol
SMILESOc1cccc2c(O)c(Oc3ccc4c(O)cccc4c3O)ccc12
InChIInChI=1S/C20H14O5/c21-15-5-1-3-13-11(15)7-9-17(19(13)23)25-18-10-8-12-14(20(18)24)4-2-6-16(12)22/h1-10,21-24H
InChIKeyNPPVYAUOCJRPGZ-UHFFFAOYSA-N
XLogP4.61
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol?
The IUPAC name of 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol (CID 171422420) is 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol.
What is the SMILES notation for 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol?
The canonical SMILES for 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol is Oc1cccc2c(O)c(Oc3ccc4c(O)cccc4c3O)ccc12.
What is the InChIKey of 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol?
The InChIKey is NPPVYAUOCJRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c21-15-5-1-3-13-11(15)7-9-17(19(13)23)25-18-10-8-12-14(20(18)24)4-2-6-16(12)22/h1-10,21-24H.
What are the key properties of 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol?
2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol has a molecular weight of 334.33 g/mol, XLogP of 4.61, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol is sourced from PubChem (CID 171422420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).