2-methylideneoxirane;methyl 3-methoxybenzoate

C12H14O4 — CID 174957498

IUPAC2-methylideneoxirane;methyl 3-methoxybenzoate
SMILESC=C1CO1.COC(=O)c1cccc(OC)c1
InChIInChI=1S/C9H10O3.C3H4O/c1-11-8-5-3-4-7(6-8)9(10)12-2;1-3-2-4-3/h3-6H,1-2H3;1-2H2
InChIKeyIZIVKPAVKHNBMA-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.01
Rot. Bonds2

About 2-methylideneoxirane;methyl 3-methoxybenzoate

2-methylideneoxirane;methyl 3-methoxybenzoate (PubChem CID 174957498) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methylideneoxirane;methyl 3-methoxybenzoate.

Molecular Properties

Compound Name2-methylideneoxirane;methyl 3-methoxybenzoate
PubChem CID174957498
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-methylideneoxirane;methyl 3-methoxybenzoate
SMILESC=C1CO1.COC(=O)c1cccc(OC)c1
InChIInChI=1S/C9H10O3.C3H4O/c1-11-8-5-3-4-7(6-8)9(10)12-2;1-3-2-4-3/h3-6H,1-2H3;1-2H2
InChIKeyIZIVKPAVKHNBMA-UHFFFAOYSA-N
XLogP2.01
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 59716384
CID 59716384
2-adamantyl 3-methoxybenzoate
CID 530487
methyl 3-dimethylphosphoryloxybenzoate
CID 154112354
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
methyl 3-acetyloxybenzoate
CID 577969
CID 159558349
CID 159558349
CID 70265363
CID 70265363
methyl 3-[(2R,4R,6S)-4-acetamido-6-(3-methoxyphenyl)oxan-2-yl]benzoate
CID 121302337
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 3-ethoxybenzoate
CID 3267781
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of 2-methylideneoxirane;methyl 3-methoxybenzoate?
The IUPAC name of 2-methylideneoxirane;methyl 3-methoxybenzoate (CID 174957498) is 2-methylideneoxirane;methyl 3-methoxybenzoate.
What is the SMILES notation for 2-methylideneoxirane;methyl 3-methoxybenzoate?
The canonical SMILES for 2-methylideneoxirane;methyl 3-methoxybenzoate is C=C1CO1.COC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-methylideneoxirane;methyl 3-methoxybenzoate?
The InChIKey is IZIVKPAVKHNBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C3H4O/c1-11-8-5-3-4-7(6-8)9(10)12-2;1-3-2-4-3/h3-6H,1-2H3;1-2H2.
What are the key properties of 2-methylideneoxirane;methyl 3-methoxybenzoate?
2-methylideneoxirane;methyl 3-methoxybenzoate has a molecular weight of 222.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoxirane;methyl 3-methoxybenzoate is sourced from PubChem (CID 174957498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).