(3-phenoxyphenyl) 2-methylpropanoate

C16H16O3 — CID 175210389

IUPAC(3-phenoxyphenyl) 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12(2)16(17)19-15-10-6-9-14(11-15)18-13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyNYWSTSZGSCIHAO-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.04
Rot. Bonds4

About (3-phenoxyphenyl) 2-methylpropanoate

(3-phenoxyphenyl) 2-methylpropanoate (PubChem CID 175210389) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3-phenoxyphenyl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-phenoxyphenyl) 2-methylpropanoate
PubChem CID175210389
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(3-phenoxyphenyl) 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12(2)16(17)19-15-10-6-9-14(11-15)18-13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyNYWSTSZGSCIHAO-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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CID 23459901
2-(3-phenoxyphenoxy)propanehydrazide
CID 63576934
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[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
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N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
1-(3-phenoxyphenyl)ethanol
CID 12882419
dimethylamino 2-(3-phenoxyphenyl)propanoate
CID 174905214
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
(3-benzoylphenyl) (2S)-2-aminopropanoate
CID 18635238
(3-phenoxyphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 2364921

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl) 2-methylpropanoate?
The IUPAC name of (3-phenoxyphenyl) 2-methylpropanoate (CID 175210389) is (3-phenoxyphenyl) 2-methylpropanoate.
What is the SMILES notation for (3-phenoxyphenyl) 2-methylpropanoate?
The canonical SMILES for (3-phenoxyphenyl) 2-methylpropanoate is CC(C)C(=O)Oc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3-phenoxyphenyl) 2-methylpropanoate?
The InChIKey is NYWSTSZGSCIHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(2)16(17)19-15-10-6-9-14(11-15)18-13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of (3-phenoxyphenyl) 2-methylpropanoate?
(3-phenoxyphenyl) 2-methylpropanoate has a molecular weight of 256.30 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl) 2-methylpropanoate is sourced from PubChem (CID 175210389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).