(2-phenylphenyl) 2-(3-methylphenoxy)acetate

C21H18O3 — CID 922978

IUPAC(2-phenylphenyl) 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)Oc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-16-8-7-11-18(14-16)23-15-21(22)24-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyLQBXUNSAXMSMQS-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.65
Rot. Bonds5

About (2-phenylphenyl) 2-(3-methylphenoxy)acetate

(2-phenylphenyl) 2-(3-methylphenoxy)acetate (PubChem CID 922978) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2-phenylphenyl) 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-phenylphenyl) 2-(3-methylphenoxy)acetate
PubChem CID922978
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2-phenylphenyl) 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)Oc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H18O3/c1-16-8-7-11-18(14-16)23-15-21(22)24-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyLQBXUNSAXMSMQS-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
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

(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
4-[2-(3-methylphenoxy)acetyl]oxybenzoic acid
CID 54855270
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
CID 7741121
(2-bromo-4-methylphenyl) 2-phenoxyacetate
CID 19178939
(3,4-dichlorophenyl) 2-(2-phenylphenoxy)acetate
CID 7959580
[2-(3-methylphenyl)phenyl] 2-methylpropanoate
CID 170389362
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
(2-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010693

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) 2-(3-methylphenoxy)acetate?
The IUPAC name of (2-phenylphenyl) 2-(3-methylphenoxy)acetate (CID 922978) is (2-phenylphenyl) 2-(3-methylphenoxy)acetate.
What is the SMILES notation for (2-phenylphenyl) 2-(3-methylphenoxy)acetate?
The canonical SMILES for (2-phenylphenyl) 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)Oc2ccccc2-c2ccccc2)c1.
What is the InChIKey of (2-phenylphenyl) 2-(3-methylphenoxy)acetate?
The InChIKey is LQBXUNSAXMSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-16-8-7-11-18(14-16)23-15-21(22)24-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of (2-phenylphenyl) 2-(3-methylphenoxy)acetate?
(2-phenylphenyl) 2-(3-methylphenoxy)acetate has a molecular weight of 318.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 922978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).