2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane

C12H19ClO3Sn — CID 174737533

IUPAC2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
SMILESCC[SnH](C)C.O=C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3.C2H5.2CH3.Sn.H/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-2;;;;/h1-4H,5H2,(H,10,11);1H2,2H3;2*1H3;;
InChIKeyMXROACOYMRUCDQ-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane

2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane (PubChem CID 174737533) has the molecular formula C12H19ClO3Sn and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane.

Molecular Properties

Compound Name2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
PubChem CID174737533
Molecular FormulaC12H19ClO3Sn
Molecular Weight365.45 g/mol
Exact Mass366.00
IUPAC Name2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
SMILESCC[SnH](C)C.O=C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3.C2H5.2CH3.Sn.H/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-2;;;;/h1-4H,5H2,(H,10,11);1H2,2H3;2*1H3;;
InChIKeyMXROACOYMRUCDQ-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-chloro-N,N-dimethylethanamine;2-(4-chlorophenoxy)acetic acid
CID 159778479
2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate
CID 174896750
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[4-[2-(4-chlorophenyl)-2,2-dimethoxyacetyl]phenoxy]acetic acid
CID 59816693
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
ethane;2-(4-methylphenoxy)acetic acid;propan-1-amine
CID 170598336
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane?
The IUPAC name of 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane (CID 174737533) is 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane.
What is the SMILES notation for 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane?
The canonical SMILES for 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane is CC[SnH](C)C.O=C(O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane?
The InChIKey is MXROACOYMRUCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3.C2H5.2CH3.Sn.H/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-2;;;;/h1-4H,5H2,(H,10,11);1H2,2H3;2*1H3;;.
What are the key properties of 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane?
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane has a molecular weight of 365.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane is sourced from PubChem (CID 174737533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).