1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol

C20H14O5 — CID 146469077

IUPAC1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
SMILESOc1ccc2ccc(O)c(Oc3c(O)ccc4ccc(O)cc34)c2c1
InChIInChI=1S/C20H14O5/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)25-20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10,21-24H
InChIKeyUZWRSMKVOXIZJU-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.61
Rot. Bonds2

About 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol

1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol (PubChem CID 146469077) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol.

Molecular Properties

Compound Name1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
PubChem CID146469077
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
SMILESOc1ccc2ccc(O)c(Oc3c(O)ccc4ccc(O)cc34)c2c1
InChIInChI=1S/C20H14O5/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)25-20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10,21-24H
InChIKeyUZWRSMKVOXIZJU-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 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol?
The IUPAC name of 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol (CID 146469077) is 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol.
What is the SMILES notation for 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol?
The canonical SMILES for 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol is Oc1ccc2ccc(O)c(Oc3c(O)ccc4ccc(O)cc34)c2c1.
What is the InChIKey of 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol?
The InChIKey is UZWRSMKVOXIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)25-20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10,21-24H.
What are the key properties of 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol?
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-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 1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol is sourced from PubChem (CID 146469077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).