benzoic acid;chloroform;ethoxyethane;hydrochloride

C12H18Cl4O3 — CID 70571094

IUPACbenzoic acid;chloroform;ethoxyethane;hydrochloride
SMILESCCOCC.Cl.ClC(Cl)Cl.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C4H10O.CHCl3.ClH/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2;2-1(3)4;/h1-5H,(H,8,9);3-4H2,1-2H3;1H;1H
InChIKeyVIIOBXSVZXCYNO-UHFFFAOYSA-N
MW352.09 g/mol
LogP4.84
Rot. Bonds3

About benzoic acid;chloroform;ethoxyethane;hydrochloride

benzoic acid;chloroform;ethoxyethane;hydrochloride (PubChem CID 70571094) has the molecular formula C12H18Cl4O3 and a molecular weight of 352.09 g/mol. Its IUPAC name is benzoic acid;chloroform;ethoxyethane;hydrochloride.

Molecular Properties

Compound Namebenzoic acid;chloroform;ethoxyethane;hydrochloride
PubChem CID70571094
Molecular FormulaC12H18Cl4O3
Molecular Weight352.09 g/mol
Exact Mass350.00
IUPAC Namebenzoic acid;chloroform;ethoxyethane;hydrochloride
SMILESCCOCC.Cl.ClC(Cl)Cl.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C4H10O.CHCl3.ClH/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2;2-1(3)4;/h1-5H,(H,8,9);3-4H2,1-2H3;1H;1H
InChIKeyVIIOBXSVZXCYNO-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.09
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethoxyethane benzoate
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Frequently Asked Questions

What is the IUPAC name of benzoic acid;chloroform;ethoxyethane;hydrochloride?
The IUPAC name of benzoic acid;chloroform;ethoxyethane;hydrochloride (CID 70571094) is benzoic acid;chloroform;ethoxyethane;hydrochloride.
What is the SMILES notation for benzoic acid;chloroform;ethoxyethane;hydrochloride?
The canonical SMILES for benzoic acid;chloroform;ethoxyethane;hydrochloride is CCOCC.Cl.ClC(Cl)Cl.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;chloroform;ethoxyethane;hydrochloride?
The InChIKey is VIIOBXSVZXCYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C4H10O.CHCl3.ClH/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2;2-1(3)4;/h1-5H,(H,8,9);3-4H2,1-2H3;1H;1H.
What are the key properties of benzoic acid;chloroform;ethoxyethane;hydrochloride?
benzoic acid;chloroform;ethoxyethane;hydrochloride has a molecular weight of 352.09 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;chloroform;ethoxyethane;hydrochloride is sourced from PubChem (CID 70571094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).