2-(4-chlorophenoxy)-2-methylpropanoate

C10H10ClO3- — CID 6918953

IUPAC2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)[O-]
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)/p-1
InChIKeyTXCGAZHTZHNUAI-UHFFFAOYSA-M
MW213.64 g/mol
LogP1.25
Rot. Bonds3

About 2-(4-chlorophenoxy)-2-methylpropanoate

2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 6918953) has the molecular formula C10H10ClO3- and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID6918953
Molecular FormulaC10H10ClO3-
Molecular Weight213.64 g/mol
Exact Mass213.03
IUPAC Name2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)[O-]
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)/p-1
InChIKeyTXCGAZHTZHNUAI-UHFFFAOYSA-M
XLogP1.25
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
bis(2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);piperazine-1,4-diium
CID 169425946
CID 131878857
CID 131878857
2-(3-chlorophenoxy)-2-methylpropanoate
CID 7686050
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
S-sulfanyl 2-(4-chlorophenoxy)-2-methylpropanethioate
CID 123279621
2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
CID 23123927
4-(4-chlorophenoxy)-4-methylpent-1-en-3-one
CID 54141191
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 160866166
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of 2-(4-chlorophenoxy)-2-methylpropanoate (CID 6918953) is 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-].
What is the InChIKey of 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is TXCGAZHTZHNUAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(4-chlorophenoxy)-2-methylpropanoate?
2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 213.64 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 6918953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).