ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol

C36H34O5 — CID 67656533

IUPACethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
SMILESCCOCC.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccccc1-c1ccccc1O
InChIInChI=1S/C20H14O2.C12H10O2.C4H10O/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-3-5-4-2/h1-12,21-22H;1-8,13-14H;3-4H2,1-2H3
InChIKeyQONQNCKNWMQUBU-UHFFFAOYSA-N
MW546.66 g/mol
LogP8.88
Rot. Bonds4

About ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol

ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol (PubChem CID 67656533) has the molecular formula C36H34O5 and a molecular weight of 546.66 g/mol. Its IUPAC name is ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Nameethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
PubChem CID67656533
Molecular FormulaC36H34O5
Molecular Weight546.66 g/mol
Exact Mass546.24
IUPAC Nameethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
SMILESCCOCC.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccccc1-c1ccccc1O
InChIInChI=1S/C20H14O2.C12H10O2.C4H10O/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-3-5-4-2/h1-12,21-22H;1-8,13-14H;3-4H2,1-2H3
InChIKeyQONQNCKNWMQUBU-UHFFFAOYSA-N
XLogP8.88
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 58.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
ethoxyethane;phenanthrene
CID 174652079
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-[2-(dimethylamino)phenyl]naphthalen-2-ol
CID 56931923
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol?
The IUPAC name of ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol (CID 67656533) is ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol.
What is the SMILES notation for ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol?
The canonical SMILES for ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol is CCOCC.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccccc1-c1ccccc1O.
What is the InChIKey of ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol?
The InChIKey is QONQNCKNWMQUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C12H10O2.C4H10O/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-3-5-4-2/h1-12,21-22H;1-8,13-14H;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol?
ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol has a molecular weight of 546.66 g/mol, XLogP of 8.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 67656533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).