2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid

C13H16O5 — CID 169454343

IUPAC2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
SMILESCCOc1cccc(C=CCO)c1OCC(=O)O
InChIInChI=1S/C13H16O5/c1-2-17-11-7-3-5-10(6-4-8-14)13(11)18-9-12(15)16/h3-7,14H,2,8-9H2,1H3,(H,15,16)
InChIKeyJOWXKWGZDGYVHD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.55
Rot. Bonds7

About 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid

2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid (PubChem CID 169454343) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
PubChem CID169454343
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
SMILESCCOc1cccc(C=CCO)c1OCC(=O)O
InChIInChI=1S/C13H16O5/c1-2-17-11-7-3-5-10(6-4-8-14)13(11)18-9-12(15)16/h3-7,14H,2,8-9H2,1H3,(H,15,16)
InChIKeyJOWXKWGZDGYVHD-UHFFFAOYSA-N
XLogP1.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
CID 5354871
2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate
CID 7476954
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[2-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126207694
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
(E)-3-(3-ethoxy-2-prop-2-ynoxyphenyl)prop-2-enoic acid
CID 43366626
2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
CID 169453821
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid (CID 169454343) is 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid is CCOc1cccc(C=CCO)c1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid?
The InChIKey is JOWXKWGZDGYVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-2-17-11-7-3-5-10(6-4-8-14)13(11)18-9-12(15)16/h3-7,14H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid?
2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid is sourced from PubChem (CID 169454343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).