(2-methyl-6-phenoxyphenyl) acetate

C15H14O3 — CID 163299035

IUPAC(2-methyl-6-phenoxyphenyl) acetate
SMILESCC(=O)Oc1c(C)cccc1Oc1ccccc1
InChIInChI=1S/C15H14O3/c1-11-7-6-10-14(15(11)17-12(2)16)18-13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyPDMUOTZZTCAVFS-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.71
Rot. Bonds3

About (2-methyl-6-phenoxyphenyl) acetate

(2-methyl-6-phenoxyphenyl) acetate (PubChem CID 163299035) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2-methyl-6-phenoxyphenyl) acetate.

Molecular Properties

Compound Name(2-methyl-6-phenoxyphenyl) acetate
PubChem CID163299035
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(2-methyl-6-phenoxyphenyl) acetate
SMILESCC(=O)Oc1c(C)cccc1Oc1ccccc1
InChIInChI=1S/C15H14O3/c1-11-7-6-10-14(15(11)17-12(2)16)18-13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyPDMUOTZZTCAVFS-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.71
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

(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
phenoxybenzene;phenyl acetate
CID 159251324
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
ethane;1-methyl-2-phenoxybenzene
CID 90950955
(2-methyl-6-sulfanylphenyl) acetate
CID 174649835
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
CID 13066658
phenyl acetate;hydroiodide
CID 172788123
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-chloro-2-methylbenzene;phenyl acetate
CID 160646986
2-acetyloxy-3-hydroperoxybenzoic acid
CID 173352180

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenoxyphenyl) acetate?
The IUPAC name of (2-methyl-6-phenoxyphenyl) acetate (CID 163299035) is (2-methyl-6-phenoxyphenyl) acetate.
What is the SMILES notation for (2-methyl-6-phenoxyphenyl) acetate?
The canonical SMILES for (2-methyl-6-phenoxyphenyl) acetate is CC(=O)Oc1c(C)cccc1Oc1ccccc1.
What is the InChIKey of (2-methyl-6-phenoxyphenyl) acetate?
The InChIKey is PDMUOTZZTCAVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-7-6-10-14(15(11)17-12(2)16)18-13-8-4-3-5-9-13/h3-10H,1-2H3.
What are the key properties of (2-methyl-6-phenoxyphenyl) acetate?
(2-methyl-6-phenoxyphenyl) acetate has a molecular weight of 242.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-phenoxyphenyl) acetate is sourced from PubChem (CID 163299035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).