1-[2-(1-methoxyethenyl)phenyl]ethanone

C11H12O2 — CID 121440840

IUPAC1-[2-(1-methoxyethenyl)phenyl]ethanone
SMILESC=C(OC)c1ccccc1C(C)=O
InChIInChI=1S/C11H12O2/c1-8(12)10-6-4-5-7-11(10)9(2)13-3/h4-7H,2H2,1,3H3
InChIKeyNLWGDVUJIDEVLN-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-(1-methoxyethenyl)phenyl]ethanone

1-[2-(1-methoxyethenyl)phenyl]ethanone (PubChem CID 121440840) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[2-(1-methoxyethenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxyethenyl)phenyl]ethanone
PubChem CID121440840
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-[2-(1-methoxyethenyl)phenyl]ethanone
SMILESC=C(OC)c1ccccc1C(C)=O
InChIInChI=1S/C11H12O2/c1-8(12)10-6-4-5-7-11(10)9(2)13-3/h4-7H,2H2,1,3H3
InChIKeyNLWGDVUJIDEVLN-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone
CID 126484592
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone
CID 135001342
2-acetyl-N-oxidobenzamide
CID 163875491
1-(2-acetylphenyl)butane-1,3-dione
CID 56993982
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxyethenyl)phenyl]ethanone?
The IUPAC name of 1-[2-(1-methoxyethenyl)phenyl]ethanone (CID 121440840) is 1-[2-(1-methoxyethenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(1-methoxyethenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(1-methoxyethenyl)phenyl]ethanone is C=C(OC)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(1-methoxyethenyl)phenyl]ethanone?
The InChIKey is NLWGDVUJIDEVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(12)10-6-4-5-7-11(10)9(2)13-3/h4-7H,2H2,1,3H3.
What are the key properties of 1-[2-(1-methoxyethenyl)phenyl]ethanone?
1-[2-(1-methoxyethenyl)phenyl]ethanone has a molecular weight of 176.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxyethenyl)phenyl]ethanone is sourced from PubChem (CID 121440840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).