8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one

C20H16O4 — CID 10639402

IUPAC8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(Oc3cccc4cccc(O)c34)ccc(O)c21
InChIInChI=1S/C20H16O4/c21-14-7-1-4-12-5-2-9-18(19(12)14)24-17-11-10-16(23)20-13(17)6-3-8-15(20)22/h1-2,4-5,7,9-11,21,23H,3,6,8H2
InChIKeyUUCVJERWABTJKE-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.56
Rot. Bonds2

About 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one

8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10639402) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10639402
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(Oc3cccc4cccc(O)c34)ccc(O)c21
InChIInChI=1S/C20H16O4/c21-14-7-1-4-12-5-2-9-18(19(12)14)24-17-11-10-16(23)20-13(17)6-3-8-15(20)22/h1-2,4-5,7,9-11,21,23H,3,6,8H2
InChIKeyUUCVJERWABTJKE-UHFFFAOYSA-N
XLogP4.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one (CID 10639402) is 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(Oc3cccc4cccc(O)c34)ccc(O)c21.
What is the InChIKey of 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UUCVJERWABTJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-14-7-1-4-12-5-2-9-18(19(12)14)24-17-11-10-16(23)20-13(17)6-3-8-15(20)22/h1-2,4-5,7,9-11,21,23H,3,6,8H2.
What are the key properties of 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one?
8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 320.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10639402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).