methyl 2-(5-methyl-2-phenoxyphenyl)acetate

C16H16O3 — CID 158548362

IUPACmethyl 2-(5-methyl-2-phenoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(C)ccc1Oc1ccccc1
InChIInChI=1S/C16H16O3/c1-12-8-9-15(13(10-12)11-16(17)18-2)19-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyUQSAVCITKDOIQE-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.50
Rot. Bonds4

About methyl 2-(5-methyl-2-phenoxyphenyl)acetate

methyl 2-(5-methyl-2-phenoxyphenyl)acetate (PubChem CID 158548362) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-(5-methyl-2-phenoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-2-phenoxyphenyl)acetate
PubChem CID158548362
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-(5-methyl-2-phenoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(C)ccc1Oc1ccccc1
InChIInChI=1S/C16H16O3/c1-12-8-9-15(13(10-12)11-16(17)18-2)19-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyUQSAVCITKDOIQE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-chloro-2-phenoxyphenyl)propanoate
CID 70289797
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
methyl 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetate
CID 15125730
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
N'-(5-methyl-2-phenoxyphenyl)propanediamide
CID 155950996
5-fluoro-3-[[3-methyl-2-[[2-(5-methyl-2-phenoxyphenyl)acetyl]amino]butanoyl]amino]-4-oxopentanoic acid
CID 76839521
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
methyl 2-[3-[2-[[ethyl-(2-phenylacetyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate
CID 58288530
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
2-(2-methoxy-4-methylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 35079349

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-2-phenoxyphenyl)acetate?
The IUPAC name of methyl 2-(5-methyl-2-phenoxyphenyl)acetate (CID 158548362) is methyl 2-(5-methyl-2-phenoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-2-phenoxyphenyl)acetate?
The canonical SMILES for methyl 2-(5-methyl-2-phenoxyphenyl)acetate is COC(=O)Cc1cc(C)ccc1Oc1ccccc1.
What is the InChIKey of methyl 2-(5-methyl-2-phenoxyphenyl)acetate?
The InChIKey is UQSAVCITKDOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-8-9-15(13(10-12)11-16(17)18-2)19-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-2-phenoxyphenyl)acetate?
methyl 2-(5-methyl-2-phenoxyphenyl)acetate has a molecular weight of 256.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-2-phenoxyphenyl)acetate is sourced from PubChem (CID 158548362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).