(2-methylphenyl) 2-(3-phenoxyphenyl)acetate

C21H18O3 — CID 91335727

IUPAC(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
SMILESCc1ccccc1OC(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-16-8-5-6-13-20(16)24-21(22)15-17-9-7-12-19(14-17)23-18-10-3-2-4-11-18/h2-14H,15H2,1H3
InChIKeyZIXWDGBIZLCYPA-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.94
Rot. Bonds5

About (2-methylphenyl) 2-(3-phenoxyphenyl)acetate

(2-methylphenyl) 2-(3-phenoxyphenyl)acetate (PubChem CID 91335727) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2-methylphenyl) 2-(3-phenoxyphenyl)acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
PubChem CID91335727
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
SMILESCc1ccccc1OC(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-16-8-5-6-13-20(16)24-21(22)15-17-9-7-12-19(14-17)23-18-10-3-2-4-11-18/h2-14H,15H2,1H3
InChIKeyZIXWDGBIZLCYPA-UHFFFAOYSA-N
XLogP4.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.94
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-(3-phenoxyphenyl)acetyl chloride
CID 12940116
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
CID 174876749
CID 174876749
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
CID 54494277
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
1-ethyl-3-phenoxybenzene;2-methylphenol
CID 142875210
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-(3-phenoxyphenyl)acetate?
The IUPAC name of (2-methylphenyl) 2-(3-phenoxyphenyl)acetate (CID 91335727) is (2-methylphenyl) 2-(3-phenoxyphenyl)acetate.
What is the SMILES notation for (2-methylphenyl) 2-(3-phenoxyphenyl)acetate?
The canonical SMILES for (2-methylphenyl) 2-(3-phenoxyphenyl)acetate is Cc1ccccc1OC(=O)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2-methylphenyl) 2-(3-phenoxyphenyl)acetate?
The InChIKey is ZIXWDGBIZLCYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-16-8-5-6-13-20(16)24-21(22)15-17-9-7-12-19(14-17)23-18-10-3-2-4-11-18/h2-14H,15H2,1H3.
What are the key properties of (2-methylphenyl) 2-(3-phenoxyphenyl)acetate?
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate has a molecular weight of 318.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-(3-phenoxyphenyl)acetate is sourced from PubChem (CID 91335727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).