4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol

C20H14O4 — CID 10087226

IUPAC4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol
SMILESOc1cccc2c(-c3ccc(O)c4c(O)cccc34)ccc(O)c12
InChIInChI=1S/C20H14O4/c21-15-5-1-3-13-11(7-9-17(23)19(13)15)12-8-10-18(24)20-14(12)4-2-6-16(20)22/h1-10,21-24H
InChIKeyGNXOYKGSVQTWOE-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.48
Rot. Bonds1

About 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol

4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol (PubChem CID 10087226) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol.

Molecular Properties

Compound Name4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol
PubChem CID10087226
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol
SMILESOc1cccc2c(-c3ccc(O)c4c(O)cccc34)ccc(O)c12
InChIInChI=1S/C20H14O4/c21-15-5-1-3-13-11(7-9-17(23)19(13)15)12-8-10-18(24)20-14(12)4-2-6-16(20)22/h1-10,21-24H
InChIKeyGNXOYKGSVQTWOE-UHFFFAOYSA-N
XLogP4.48
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol?
The IUPAC name of 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol (CID 10087226) is 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol.
What is the SMILES notation for 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol?
The canonical SMILES for 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol is Oc1cccc2c(-c3ccc(O)c4c(O)cccc34)ccc(O)c12.
What is the InChIKey of 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol?
The InChIKey is GNXOYKGSVQTWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-15-5-1-3-13-11(7-9-17(23)19(13)15)12-8-10-18(24)20-14(12)4-2-6-16(20)22/h1-10,21-24H.
What are the key properties of 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol?
4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol has a molecular weight of 318.33 g/mol, XLogP of 4.48, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydroxynaphthalen-1-yl)naphthalene-1,8-diol is sourced from PubChem (CID 10087226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).