sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide

C18H26ClNaO5 — CID 159331010

IUPACsodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide
SMILESCCCl.CCOc1ccc(OC)cc1.COc1ccc(O)cc1.[Na+].[OH-]
InChIInChI=1S/C9H12O2.C7H8O2.C2H5Cl.Na.H2O/c1-3-11-9-6-4-8(10-2)5-7-9;1-9-7-4-2-6(8)3-5-7;1-2-3;;/h4-7H,3H2,1-2H3;2-5,8H,1H3;2H2,1H3;;1H2/q;;;+1;/p-1
InChIKeyLEYYDWZQUKQIFE-UHFFFAOYSA-M
MW380.84 g/mol
LogP1.57
Rot. Bonds4

About sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide

sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide (PubChem CID 159331010) has the molecular formula C18H26ClNaO5 and a molecular weight of 380.84 g/mol. Its IUPAC name is sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide.

Molecular Properties

Compound Namesodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide
PubChem CID159331010
Molecular FormulaC18H26ClNaO5
Molecular Weight380.84 g/mol
Exact Mass380.14
IUPAC Namesodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide
SMILESCCCl.CCOc1ccc(OC)cc1.COc1ccc(O)cc1.[Na+].[OH-]
InChIInChI=1S/C9H12O2.C7H8O2.C2H5Cl.Na.H2O/c1-3-11-9-6-4-8(10-2)5-7-9;1-9-7-4-2-6(8)3-5-7;1-2-3;;/h4-7H,3H2,1-2H3;2-5,8H,1H3;2H2,1H3;;1H2/q;;;+1;/p-1
InChIKeyLEYYDWZQUKQIFE-UHFFFAOYSA-M
XLogP1.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethoxy-4-nitrobenzene;methane;1-methoxy-4-nitrobenzene;4-nitrophenol
CID 158868272
methane;4-methoxyphenol
CID 159494332
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
4-ethoxyphenol isocyanate
CID 20557311
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
4-(4-ethoxyphenyl)sulfinylphenol
CID 139983404
2-(chloromethyl)oxirane;4-methoxyphenol;2-[(4-methoxyphenoxy)methyl]oxirane
CID 157284008
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-methoxyphenol;4-methylphenol
CID 158312507
1-ethoxy-4-phenylbenzene;phenol
CID 174652155

Frequently Asked Questions

What is the IUPAC name of sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide?
The IUPAC name of sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide (CID 159331010) is sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide.
What is the SMILES notation for sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide?
The canonical SMILES for sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide is CCCl.CCOc1ccc(OC)cc1.COc1ccc(O)cc1.[Na+].[OH-].
What is the InChIKey of sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide?
The InChIKey is LEYYDWZQUKQIFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O2.C7H8O2.C2H5Cl.Na.H2O/c1-3-11-9-6-4-8(10-2)5-7-9;1-9-7-4-2-6(8)3-5-7;1-2-3;;/h4-7H,3H2,1-2H3;2-5,8H,1H3;2H2,1H3;;1H2/q;;;+1;/p-1.
What are the key properties of sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide?
sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide has a molecular weight of 380.84 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloroethane;1-ethoxy-4-methoxybenzene;4-methoxyphenol;hydroxide is sourced from PubChem (CID 159331010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).