2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid

C13H15ClO5 — CID 110190887

IUPAC2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
SMILESCCOC(=O)C(C)Oc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C13H15ClO5/c1-3-18-13(17)8(2)19-11-5-4-9(6-10(11)14)7-12(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyGOVLHAXQWABTFU-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.30
Rot. Bonds6

About 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid

2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid (PubChem CID 110190887) has the molecular formula C13H15ClO5 and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
PubChem CID110190887
Molecular FormulaC13H15ClO5
Molecular Weight286.71 g/mol
Exact Mass286.06
IUPAC Name2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
SMILESCCOC(=O)C(C)Oc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C13H15ClO5/c1-3-18-13(17)8(2)19-11-5-4-9(6-10(11)14)7-12(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyGOVLHAXQWABTFU-UHFFFAOYSA-N
XLogP2.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
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ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
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1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
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2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
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2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid (CID 110190887) is 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid is CCOC(=O)C(C)Oc1ccc(CC(=O)O)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid?
The InChIKey is GOVLHAXQWABTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO5/c1-3-18-13(17)8(2)19-11-5-4-9(6-10(11)14)7-12(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid?
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid has a molecular weight of 286.71 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 110190887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).