methyl 2-ethenoxybenzoate

C10H10O3 — CID 66368826

IUPACmethyl 2-ethenoxybenzoate
SMILESC=COc1ccccc1C(=O)OC
InChIInChI=1S/C10H10O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h3-7H,1H2,2H3
InChIKeyREXWOVSLTYEHAO-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-ethenoxybenzoate

methyl 2-ethenoxybenzoate (PubChem CID 66368826) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl 2-ethenoxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethenoxybenzoate
PubChem CID66368826
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namemethyl 2-ethenoxybenzoate
SMILESC=COc1ccccc1C(=O)OC
InChIInChI=1S/C10H10O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h3-7H,1H2,2H3
InChIKeyREXWOVSLTYEHAO-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 4-bromo-2-ethenoxybenzoate
CID 135381779
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
CID 143337397
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
N-(2-ethenoxyphenyl)acetamide
CID 66367179
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199
methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
CID 12930619
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenoxybenzoate?
The IUPAC name of methyl 2-ethenoxybenzoate (CID 66368826) is methyl 2-ethenoxybenzoate.
What is the SMILES notation for methyl 2-ethenoxybenzoate?
The canonical SMILES for methyl 2-ethenoxybenzoate is C=COc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-ethenoxybenzoate?
The InChIKey is REXWOVSLTYEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h3-7H,1H2,2H3.
What are the key properties of methyl 2-ethenoxybenzoate?
methyl 2-ethenoxybenzoate has a molecular weight of 178.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenoxybenzoate is sourced from PubChem (CID 66368826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).