2-[4-(1-methoxyethyl)phenyl]acetic acid

C11H14O3 — CID 84618183

IUPAC2-[4-(1-methoxyethyl)phenyl]acetic acid
SMILESCOC(C)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-8(14-2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyMVULYKKJRUKKFM-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.02
Rot. Bonds4

About 2-[4-(1-methoxyethyl)phenyl]acetic acid

2-[4-(1-methoxyethyl)phenyl]acetic acid (PubChem CID 84618183) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[4-(1-methoxyethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methoxyethyl)phenyl]acetic acid
PubChem CID84618183
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[4-(1-methoxyethyl)phenyl]acetic acid
SMILESCOC(C)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-8(14-2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyMVULYKKJRUKKFM-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
CID 124500314
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-[4-(trideuteriomethoxy)phenyl]acetic acid
CID 177182175
2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid
CID 99936616
2-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]acetic acid
CID 91999158
methyl 2-[4-[(1S)-1-propoxyethyl]phenyl]acetate
CID 124500474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxyethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-methoxyethyl)phenyl]acetic acid (CID 84618183) is 2-[4-(1-methoxyethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-methoxyethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-methoxyethyl)phenyl]acetic acid is COC(C)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-methoxyethyl)phenyl]acetic acid?
The InChIKey is MVULYKKJRUKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(14-2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-[4-(1-methoxyethyl)phenyl]acetic acid?
2-[4-(1-methoxyethyl)phenyl]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxyethyl)phenyl]acetic acid is sourced from PubChem (CID 84618183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).