methyl 2-phenoxyprop-2-enoate;toluene

C17H18O3 — CID 174856414

IUPACmethyl 2-phenoxyprop-2-enoate;toluene
SMILESC=C(Oc1ccccc1)C(=O)OC.Cc1ccccc1
InChIInChI=1S/C10H10O3.C7H8/c1-8(10(11)12-2)13-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7/h3-7H,1H2,2H3;2-6H,1H3
InChIKeyOIHHBEBCKFXYLN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.75
Rot. Bonds3

About methyl 2-phenoxyprop-2-enoate;toluene

methyl 2-phenoxyprop-2-enoate;toluene (PubChem CID 174856414) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-phenoxyprop-2-enoate;toluene.

Molecular Properties

Compound Namemethyl 2-phenoxyprop-2-enoate;toluene
PubChem CID174856414
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-phenoxyprop-2-enoate;toluene
SMILESC=C(Oc1ccccc1)C(=O)OC.Cc1ccccc1
InChIInChI=1S/C10H10O3.C7H8/c1-8(10(11)12-2)13-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7/h3-7H,1H2,2H3;2-6H,1H3
InChIKeyOIHHBEBCKFXYLN-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-phenoxyprop-2-enoate
CID 141223374
2-methoxy-2-oxoacetic acid;toluene
CID 159263355
iodo 2-phenoxyprop-2-enoate
CID 163654850
methyl 2-(2-phenoxyethoxy)prop-2-enoate
CID 174353972
2-phenoxyprop-2-enethioic S-acid
CID 156524752
bis(2-methylprop-1-ene);toluene
CID 158339604
butyl 2-phenoxyprop-2-enoate
CID 134306076
1-methoxyethenoxybenzene
CID 57063667
diphenyl oxalate;ethane
CID 162013592
anisole;1-phenylethanone;toluene
CID 157308620
phenyl (4-prop-1-en-2-ylphenyl) carbonate
CID 154230592
methanol;3-methylbuta-1,3-dien-2-yloxybenzene
CID 157443112

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenoxyprop-2-enoate;toluene?
The IUPAC name of methyl 2-phenoxyprop-2-enoate;toluene (CID 174856414) is methyl 2-phenoxyprop-2-enoate;toluene.
What is the SMILES notation for methyl 2-phenoxyprop-2-enoate;toluene?
The canonical SMILES for methyl 2-phenoxyprop-2-enoate;toluene is C=C(Oc1ccccc1)C(=O)OC.Cc1ccccc1.
What is the InChIKey of methyl 2-phenoxyprop-2-enoate;toluene?
The InChIKey is OIHHBEBCKFXYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C7H8/c1-8(10(11)12-2)13-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7/h3-7H,1H2,2H3;2-6H,1H3.
What are the key properties of methyl 2-phenoxyprop-2-enoate;toluene?
methyl 2-phenoxyprop-2-enoate;toluene has a molecular weight of 270.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenoxyprop-2-enoate;toluene is sourced from PubChem (CID 174856414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).