2-(3-chlorophenoxy)-2-methylpropanoate

C10H10ClO3- — CID 7686050

IUPAC2-(3-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)[O-]
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13)/p-1
InChIKeyPZBIVIXQLIVFHJ-UHFFFAOYSA-M
MW213.64 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-chlorophenoxy)-2-methylpropanoate

2-(3-chlorophenoxy)-2-methylpropanoate (PubChem CID 7686050) has the molecular formula C10H10ClO3- and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-2-methylpropanoate
PubChem CID7686050
Molecular FormulaC10H10ClO3-
Molecular Weight213.64 g/mol
Exact Mass213.03
IUPAC Name2-(3-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)[O-]
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13)/p-1
InChIKeyPZBIVIXQLIVFHJ-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

1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 25236389
(3-chlorophenyl) 3-chloro-3-methylbutanoate
CID 15188066
2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid
CID 114994951
2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
(3-chlorophenyl) 2,2-dimethylbutanoate
CID 174788639
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
2-(3-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110023182
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 75463774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of 2-(3-chlorophenoxy)-2-methylpropanoate (CID 7686050) is 2-(3-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for 2-(3-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for 2-(3-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1cccc(Cl)c1)C(=O)[O-].
What is the InChIKey of 2-(3-chlorophenoxy)-2-methylpropanoate?
The InChIKey is PZBIVIXQLIVFHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(3-chlorophenoxy)-2-methylpropanoate?
2-(3-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-(3-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 7686050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).