(4-chlorophenyl)methoxy-diethylalumane;hydrochloride

C11H17AlCl2O — CID 174325399

IUPAC(4-chlorophenyl)methoxy-diethylalumane;hydrochloride
SMILESCC[Al](CC)OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C7H6ClO.2C2H5.Al.ClH/c8-7-3-1-6(5-9)2-4-7;2*1-2;;/h1-4H,5H2;2*1H2,2H3;;1H/q-1;;;+1;
InChIKeyYNPYGNLMDZAZSZ-UHFFFAOYSA-N
MW263.14 g/mol
LogP4.31
Rot. Bonds5

About (4-chlorophenyl)methoxy-diethylalumane;hydrochloride

(4-chlorophenyl)methoxy-diethylalumane;hydrochloride (PubChem CID 174325399) has the molecular formula C11H17AlCl2O and a molecular weight of 263.14 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-diethylalumane;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-diethylalumane;hydrochloride
PubChem CID174325399
Molecular FormulaC11H17AlCl2O
Molecular Weight263.14 g/mol
Exact Mass262.05
IUPAC Name(4-chlorophenyl)methoxy-diethylalumane;hydrochloride
SMILESCC[Al](CC)OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C7H6ClO.2C2H5.Al.ClH/c8-7-3-1-6(5-9)2-4-7;2*1-2;;/h1-4H,5H2;2*1H2,2H3;;1H/q-1;;;+1;
InChIKeyYNPYGNLMDZAZSZ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methoxy-diethylalumane;hydrochloride?
The IUPAC name of (4-chlorophenyl)methoxy-diethylalumane;hydrochloride (CID 174325399) is (4-chlorophenyl)methoxy-diethylalumane;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)methoxy-diethylalumane;hydrochloride?
The canonical SMILES for (4-chlorophenyl)methoxy-diethylalumane;hydrochloride is CC[Al](CC)OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of (4-chlorophenyl)methoxy-diethylalumane;hydrochloride?
The InChIKey is YNPYGNLMDZAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClO.2C2H5.Al.ClH/c8-7-3-1-6(5-9)2-4-7;2*1-2;;/h1-4H,5H2;2*1H2,2H3;;1H/q-1;;;+1;.
What are the key properties of (4-chlorophenyl)methoxy-diethylalumane;hydrochloride?
(4-chlorophenyl)methoxy-diethylalumane;hydrochloride has a molecular weight of 263.14 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-diethylalumane;hydrochloride is sourced from PubChem (CID 174325399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).