methyl 2-ethyl-4-phenoxybenzoate

C16H16O3 — CID 154641333

IUPACmethyl 2-ethyl-4-phenoxybenzoate
SMILESCCc1cc(Oc2ccccc2)ccc1C(=O)OC
InChIInChI=1S/C16H16O3/c1-3-12-11-14(9-10-15(12)16(17)18-2)19-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyZUCITHOLPQONHH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-ethyl-4-phenoxybenzoate

methyl 2-ethyl-4-phenoxybenzoate (PubChem CID 154641333) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-ethyl-4-phenoxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-phenoxybenzoate
PubChem CID154641333
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-ethyl-4-phenoxybenzoate
SMILESCCc1cc(Oc2ccccc2)ccc1C(=O)OC
InChIInChI=1S/C16H16O3/c1-3-12-11-14(9-10-15(12)16(17)18-2)19-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyZUCITHOLPQONHH-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
methyl 4-phenoxy-2-(propan-2-ylamino)benzoate
CID 72725192
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
methyl 2-ethyl-6-phenoxypyridine-3-carboxylate
CID 134204658
2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene
CID 155782247
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone
CID 155782277
methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
CID 10023622
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-phenoxybenzoate?
The IUPAC name of methyl 2-ethyl-4-phenoxybenzoate (CID 154641333) is methyl 2-ethyl-4-phenoxybenzoate.
What is the SMILES notation for methyl 2-ethyl-4-phenoxybenzoate?
The canonical SMILES for methyl 2-ethyl-4-phenoxybenzoate is CCc1cc(Oc2ccccc2)ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-phenoxybenzoate?
The InChIKey is ZUCITHOLPQONHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-12-11-14(9-10-15(12)16(17)18-2)19-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-phenoxybenzoate?
methyl 2-ethyl-4-phenoxybenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-phenoxybenzoate is sourced from PubChem (CID 154641333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).