acetic acid;2-methoxy-3-prop-2-enylphenol

C12H16O4 — CID 174703857

IUPACacetic acid;2-methoxy-3-prop-2-enylphenol
SMILESC=CCc1cccc(O)c1OC.CC(=O)O
InChIInChI=1S/C10H12O2.C2H4O2/c1-3-5-8-6-4-7-9(11)10(8)12-2;1-2(3)4/h3-4,6-7,11H,1,5H2,2H3;1H3,(H,3,4)
InChIKeyJQXZUHAFPOXPRB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.22
Rot. Bonds3

About acetic acid;2-methoxy-3-prop-2-enylphenol

acetic acid;2-methoxy-3-prop-2-enylphenol (PubChem CID 174703857) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is acetic acid;2-methoxy-3-prop-2-enylphenol.

Molecular Properties

Compound Nameacetic acid;2-methoxy-3-prop-2-enylphenol
PubChem CID174703857
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameacetic acid;2-methoxy-3-prop-2-enylphenol
SMILESC=CCc1cccc(O)c1OC.CC(=O)O
InChIInChI=1S/C10H12O2.C2H4O2/c1-3-5-8-6-4-7-9(11)10(8)12-2;1-2(3)4/h3-4,6-7,11H,1,5H2,2H3;1H3,(H,3,4)
InChIKeyJQXZUHAFPOXPRB-UHFFFAOYSA-N
XLogP2.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 139534699
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
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2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one
CID 174904378
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
[2-(dimethylcarbamoyloxy)-3-prop-2-enylphenyl] N,N-dimethylcarbamate
CID 24836202
2-methoxy-3-methyl-6-prop-2-enylphenol
CID 130034718

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxy-3-prop-2-enylphenol?
The IUPAC name of acetic acid;2-methoxy-3-prop-2-enylphenol (CID 174703857) is acetic acid;2-methoxy-3-prop-2-enylphenol.
What is the SMILES notation for acetic acid;2-methoxy-3-prop-2-enylphenol?
The canonical SMILES for acetic acid;2-methoxy-3-prop-2-enylphenol is C=CCc1cccc(O)c1OC.CC(=O)O.
What is the InChIKey of acetic acid;2-methoxy-3-prop-2-enylphenol?
The InChIKey is JQXZUHAFPOXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H4O2/c1-3-5-8-6-4-7-9(11)10(8)12-2;1-2(3)4/h3-4,6-7,11H,1,5H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methoxy-3-prop-2-enylphenol?
acetic acid;2-methoxy-3-prop-2-enylphenol has a molecular weight of 224.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxy-3-prop-2-enylphenol is sourced from PubChem (CID 174703857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).