2-[2-[(E)-but-1-enyl]phenoxy]acetic acid

C12H14O3 — CID 5354871

IUPAC2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
SMILESCC/C=C/c1ccccc1OCC(=O)O
InChIInChI=1S/C12H14O3/c1-2-3-6-10-7-4-5-8-11(10)15-9-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b6-3+
InChIKeySRYOZKVPPHUEPS-ZZXKWVIFSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid

2-[2-[(E)-but-1-enyl]phenoxy]acetic acid (PubChem CID 5354871) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
PubChem CID5354871
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
SMILESCC/C=C/c1ccccc1OCC(=O)O
InChIInChI=1S/C12H14O3/c1-2-3-6-10-7-4-5-8-11(10)15-9-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b6-3+
InChIKeySRYOZKVPPHUEPS-ZZXKWVIFSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorobut-1-enyl)phenoxy]acetic acid
CID 170499701
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779
2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
CID 169464346
2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
2-but-1-enylbenzoic acid
CID 66860810
2-[2-[(E)-3-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 155639527
1,2-bis(but-1-enyl)benzene
CID 140975855
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid (CID 5354871) is 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid is CC/C=C/c1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid?
The InChIKey is SRYOZKVPPHUEPS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-3-6-10-7-4-5-8-11(10)15-9-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b6-3+.
What are the key properties of 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid?
2-[2-[(E)-but-1-enyl]phenoxy]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid is sourced from PubChem (CID 5354871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).