sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide

C16H20Cl3NaO5 — CID 157086643

IUPACsodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide
SMILESClCOCCl.ClCOCOc1ccccc1.Oc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C8H9ClO2.C6H6O.C2H4Cl2O.Na.H2O/c9-6-10-7-11-8-4-2-1-3-5-8;7-6-4-2-1-3-5-6;3-1-5-2-4;;/h1-5H,6-7H2;1-5,7H;1-2H2;;1H2/q;;;+1;/p-1
InChIKeyAEDYGGZXUBTFBB-UHFFFAOYSA-M
MW421.68 g/mol
LogP1.85
Rot. Bonds6

About sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide

sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide (PubChem CID 157086643) has the molecular formula C16H20Cl3NaO5 and a molecular weight of 421.68 g/mol. Its IUPAC name is sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide.

Molecular Properties

Compound Namesodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide
PubChem CID157086643
Molecular FormulaC16H20Cl3NaO5
Molecular Weight421.68 g/mol
Exact Mass420.03
IUPAC Namesodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide
SMILESClCOCCl.ClCOCOc1ccccc1.Oc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C8H9ClO2.C6H6O.C2H4Cl2O.Na.H2O/c9-6-10-7-11-8-4-2-1-3-5-8;7-6-4-2-1-3-5-6;3-1-5-2-4;;/h1-5H,6-7H2;1-5,7H;1-2H2;;1H2/q;;;+1;/p-1
InChIKeyAEDYGGZXUBTFBB-UHFFFAOYSA-M
XLogP1.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dichloro(phenoxymethoxy)silane
CID 123225652
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
benzene;hypochlorous acid;phenol
CID 174898371
magnesium;phenol;dihydroxide
CID 70562244
1,4-bis(butan-2-yloxymethoxy)benzene;phenol
CID 161493594
phenol;2-phenoxy-1-phenylethanone
CID 161484281
1,4-dibutoxybenzene;phenol
CID 174756360
azane;hypochlorous acid;phenol
CID 159093398
phenol;4-prop-2-enoxyphenol
CID 70303777
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
CID 67496590
CID 67496590

Frequently Asked Questions

What is the IUPAC name of sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide?
The IUPAC name of sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide (CID 157086643) is sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide.
What is the SMILES notation for sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide?
The canonical SMILES for sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide is ClCOCCl.ClCOCOc1ccccc1.Oc1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide?
The InChIKey is AEDYGGZXUBTFBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9ClO2.C6H6O.C2H4Cl2O.Na.H2O/c9-6-10-7-11-8-4-2-1-3-5-8;7-6-4-2-1-3-5-6;3-1-5-2-4;;/h1-5H,6-7H2;1-5,7H;1-2H2;;1H2/q;;;+1;/p-1.
What are the key properties of sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide?
sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide has a molecular weight of 421.68 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro(chloromethoxy)methane;chloromethoxymethoxybenzene;phenol;hydroxide is sourced from PubChem (CID 157086643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).