sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide

C24H26BrNaO7 — CID 161080823

IUPACsodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide
SMILESOCCBr.OCCOc1cccc2c(O)cccc12.Oc1cccc2c(O)cccc12.[Na+].[OH-]
InChIInChI=1S/C12H12O3.C10H8O2.C2H5BrO.Na.H2O/c13-7-8-15-12-6-2-3-9-10(12)4-1-5-11(9)14;11-9-5-1-3-7-8(9)4-2-6-10(7)12;3-1-2-4;;/h1-6,13-14H,7-8H2;1-6,11-12H;4H,1-2H2;;1H2/q;;;+1;/p-1
InChIKeyUFWRUZGKCGLQED-UHFFFAOYSA-M
MW529.36 g/mol
LogP1.37
Rot. Bonds4

About sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide

sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide (PubChem CID 161080823) has the molecular formula C24H26BrNaO7 and a molecular weight of 529.36 g/mol. Its IUPAC name is sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide.

Molecular Properties

Compound Namesodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide
PubChem CID161080823
Molecular FormulaC24H26BrNaO7
Molecular Weight529.36 g/mol
Exact Mass528.08
IUPAC Namesodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide
SMILESOCCBr.OCCOc1cccc2c(O)cccc12.Oc1cccc2c(O)cccc12.[Na+].[OH-]
InChIInChI=1S/C12H12O3.C10H8O2.C2H5BrO.Na.H2O/c13-7-8-15-12-6-2-3-9-10(12)4-1-5-11(9)14;11-9-5-1-3-7-8(9)4-2-6-10(7)12;3-1-2-4;;/h1-6,13-14H,7-8H2;1-6,11-12H;4H,1-2H2;;1H2/q;;;+1;/p-1
InChIKeyUFWRUZGKCGLQED-UHFFFAOYSA-M
XLogP1.37
TPSA140.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.36
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-pentoxynaphthalen-1-ol
CID 67823980
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545
2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2,3-dipentoxyphenol
CID 57426098
5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid
CID 23357659
3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
CID 18513327
2-(5-bromopentoxy)phenol
CID 13197601

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide?
The IUPAC name of sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide (CID 161080823) is sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide.
What is the SMILES notation for sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide?
The canonical SMILES for sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide is OCCBr.OCCOc1cccc2c(O)cccc12.Oc1cccc2c(O)cccc12.[Na+].[OH-].
What is the InChIKey of sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide?
The InChIKey is UFWRUZGKCGLQED-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12O3.C10H8O2.C2H5BrO.Na.H2O/c13-7-8-15-12-6-2-3-9-10(12)4-1-5-11(9)14;11-9-5-1-3-7-8(9)4-2-6-10(7)12;3-1-2-4;;/h1-6,13-14H,7-8H2;1-6,11-12H;4H,1-2H2;;1H2/q;;;+1;/p-1.
What are the key properties of sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide?
sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide has a molecular weight of 529.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide is sourced from PubChem (CID 161080823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).