2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid

C10H9ClO4 — CID 61328747

IUPAC2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO4/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKeyVKDKXYSGDYLLIP-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.62
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid

2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid (PubChem CID 61328747) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
PubChem CID61328747
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO4/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKeyVKDKXYSGDYLLIP-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
2-phenacyloxy-1-phenylethanone
CID 12781821
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 17283229
[2-(4-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 71560088
4-[2-[(4-chlorophenyl)methoxy]acetyl]benzonitrile
CID 65126529
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-chlorophenyl)ethanone
CID 22960642

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid (CID 61328747) is 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid?
The InChIKey is VKDKXYSGDYLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c11-8-3-1-7(2-4-8)9(12)5-15-6-10(13)14/h1-4H,5-6H2,(H,13,14).
What are the key properties of 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid?
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).