formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene

C11H14O2 — CID 145155759

IUPACformaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene
SMILESC=O.CO/C=C/c1ccc(C)cc1
InChIInChI=1S/C10H12O.CH2O/c1-9-3-5-10(6-4-9)7-8-11-2;1-2/h3-8H,1-2H3;1H2/b8-7+;
InChIKeyQYEZVGIOVRMNGQ-USRGLUTNSA-N
MW178.23 g/mol
LogP2.43
Rot. Bonds2

About formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene

formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene (PubChem CID 145155759) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene.

Molecular Properties

Compound Nameformaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene
PubChem CID145155759
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameformaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene
SMILESC=O.CO/C=C/c1ccc(C)cc1
InChIInChI=1S/C10H12O.CH2O/c1-9-3-5-10(6-4-9)7-8-11-2;1-2/h3-8H,1-2H3;1H2/b8-7+;
InChIKeyQYEZVGIOVRMNGQ-USRGLUTNSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.43
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-fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 5370161
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 14168434
2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 167530935
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
5-(4-methylphenyl)pent-4-enal
CID 85344490
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate
CID 11665797

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene?
The IUPAC name of formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene (CID 145155759) is formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene.
What is the SMILES notation for formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene?
The canonical SMILES for formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene is C=O.CO/C=C/c1ccc(C)cc1.
What is the InChIKey of formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene?
The InChIKey is QYEZVGIOVRMNGQ-USRGLUTNSA-N. The full InChI is InChI=1S/C10H12O.CH2O/c1-9-3-5-10(6-4-9)7-8-11-2;1-2/h3-8H,1-2H3;1H2/b8-7+;.
What are the key properties of formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene?
formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene has a molecular weight of 178.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene is sourced from PubChem (CID 145155759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).