4-(2-methoxyphenyl)but-2-ynoic acid

C11H10O3 — CID 64535193

IUPAC4-(2-methoxyphenyl)but-2-ynoic acid
SMILESCOc1ccccc1CC#CC(=O)O
InChIInChI=1S/C11H10O3/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,6H2,1H3,(H,12,13)
InChIKeyKEYOIWAMVCFATP-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.33
Rot. Bonds2

About 4-(2-methoxyphenyl)but-2-ynoic acid

4-(2-methoxyphenyl)but-2-ynoic acid (PubChem CID 64535193) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)but-2-ynoic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)but-2-ynoic acid
PubChem CID64535193
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-(2-methoxyphenyl)but-2-ynoic acid
SMILESCOc1ccccc1CC#CC(=O)O
InChIInChI=1S/C11H10O3/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,6H2,1H3,(H,12,13)
InChIKeyKEYOIWAMVCFATP-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
CID 101398032
2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide
CID 67925876
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-hexa-2,4-diynyl-2-methoxybenzene
CID 5319414
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
4-[2-[(E)-3-oxobut-1-enyl]phenyl]but-2-ynoic acid
CID 122223275
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)but-2-ynoic acid?
The IUPAC name of 4-(2-methoxyphenyl)but-2-ynoic acid (CID 64535193) is 4-(2-methoxyphenyl)but-2-ynoic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)but-2-ynoic acid?
The canonical SMILES for 4-(2-methoxyphenyl)but-2-ynoic acid is COc1ccccc1CC#CC(=O)O.
What is the InChIKey of 4-(2-methoxyphenyl)but-2-ynoic acid?
The InChIKey is KEYOIWAMVCFATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,6H2,1H3,(H,12,13).
What are the key properties of 4-(2-methoxyphenyl)but-2-ynoic acid?
4-(2-methoxyphenyl)but-2-ynoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)but-2-ynoic acid is sourced from PubChem (CID 64535193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).