2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid

C13H16O5 — CID 154135736

IUPAC2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
SMILESCOc1cc(C(=O)C(C)C)ccc1OCC(=O)O
InChIInChI=1S/C13H16O5/c1-8(2)13(16)9-4-5-10(11(6-9)17-3)18-7-12(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyWKIIFTAOVFIKLF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid

2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid (PubChem CID 154135736) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
PubChem CID154135736
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
SMILESCOc1cc(C(=O)C(C)C)ccc1OCC(=O)O
InChIInChI=1S/C13H16O5/c1-8(2)13(16)9-4-5-10(11(6-9)17-3)18-7-12(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyWKIIFTAOVFIKLF-UHFFFAOYSA-N
XLogP2.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
2-(4-hexanoyl-2-methoxyphenoxy)acetic acid
CID 154164462
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448707
(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
CID 102213329
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
2-[5-(2-bromopropanoyl)-2-methoxyphenyl]acetic acid
CID 18706103
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
2-[4-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9460657
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
CID 146008941

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid (CID 154135736) is 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid is COc1cc(C(=O)C(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid?
The InChIKey is WKIIFTAOVFIKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-8(2)13(16)9-4-5-10(11(6-9)17-3)18-7-12(14)15/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid?
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid is sourced from PubChem (CID 154135736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).