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

C11H12O3 — CID 91083369

IUPAC2-[4-(1-methoxyethenyl)phenyl]acetic acid
SMILESC=C(OC)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12O3/c1-8(14-2)10-5-3-9(4-6-10)7-11(12)13/h3-6H,1,7H2,2H3,(H,12,13)
InChIKeyDBJVUNPQWYKGQT-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.93
Rot. Bonds4

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

2-[4-(1-methoxyethenyl)phenyl]acetic acid (PubChem CID 91083369) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-[4-(1-methoxyethenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methoxyethenyl)phenyl]acetic acid
PubChem CID91083369
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-[4-(1-methoxyethenyl)phenyl]acetic acid
SMILESC=C(OC)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12O3/c1-8(14-2)10-5-3-9(4-6-10)7-11(12)13/h3-6H,1,7H2,2H3,(H,12,13)
InChIKeyDBJVUNPQWYKGQT-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
2-[(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 57123056
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818
4-[4-(carboxymethyl)anilino]benzoic acid
CID 82535929
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
3-(4-methoxycarbonylphenyl)-2-oxopropanoic acid
CID 15044862
formaldehyde;2-phenylacetic acid
CID 70638018
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 113424569
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxyethenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-methoxyethenyl)phenyl]acetic acid (CID 91083369) is 2-[4-(1-methoxyethenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-methoxyethenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-methoxyethenyl)phenyl]acetic acid is C=C(OC)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-methoxyethenyl)phenyl]acetic acid?
The InChIKey is DBJVUNPQWYKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(14-2)10-5-3-9(4-6-10)7-11(12)13/h3-6H,1,7H2,2H3,(H,12,13).
What are the key properties of 2-[4-(1-methoxyethenyl)phenyl]acetic acid?
2-[4-(1-methoxyethenyl)phenyl]acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxyethenyl)phenyl]acetic acid is sourced from PubChem (CID 91083369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).