methyl 2-ethenyl-4-phenoxybenzoate

C16H14O3 — CID 154641334

IUPACmethyl 2-ethenyl-4-phenoxybenzoate
SMILESC=Cc1cc(Oc2ccccc2)ccc1C(=O)OC
InChIInChI=1S/C16H14O3/c1-3-12-11-14(9-10-15(12)16(17)18-2)19-13-7-5-4-6-8-13/h3-11H,1H2,2H3
InChIKeyBKLBGCBPQNQRPQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.91
Rot. Bonds4

About methyl 2-ethenyl-4-phenoxybenzoate

methyl 2-ethenyl-4-phenoxybenzoate (PubChem CID 154641334) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 2-ethenyl-4-phenoxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-4-phenoxybenzoate
PubChem CID154641334
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namemethyl 2-ethenyl-4-phenoxybenzoate
SMILESC=Cc1cc(Oc2ccccc2)ccc1C(=O)OC
InChIInChI=1S/C16H14O3/c1-3-12-11-14(9-10-15(12)16(17)18-2)19-13-7-5-4-6-8-13/h3-11H,1H2,2H3
InChIKeyBKLBGCBPQNQRPQ-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-ethenyl-4-phenoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
2-formyl-N-methyl-4-phenoxybenzamide
CID 141490804
methyl 2-ethenylbenzoate;prop-2-enoic acid
CID 175189023
methyl 4-phenoxy-2-(propan-2-ylamino)benzoate
CID 72725192
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
methyl 5-[3-ethenyl-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 59566200
phenoxybenzene;prop-2-enoic acid
CID 66735010

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-4-phenoxybenzoate?
The IUPAC name of methyl 2-ethenyl-4-phenoxybenzoate (CID 154641334) is methyl 2-ethenyl-4-phenoxybenzoate.
What is the SMILES notation for methyl 2-ethenyl-4-phenoxybenzoate?
The canonical SMILES for methyl 2-ethenyl-4-phenoxybenzoate is C=Cc1cc(Oc2ccccc2)ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-4-phenoxybenzoate?
The InChIKey is BKLBGCBPQNQRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-3-12-11-14(9-10-15(12)16(17)18-2)19-13-7-5-4-6-8-13/h3-11H,1H2,2H3.
What are the key properties of methyl 2-ethenyl-4-phenoxybenzoate?
methyl 2-ethenyl-4-phenoxybenzoate has a molecular weight of 254.28 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-4-phenoxybenzoate is sourced from PubChem (CID 154641334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).