[2-(2-methylphenyl)phenyl] propanoate

C16H16O2 — CID 145045577

IUPAC[2-(2-methylphenyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1-c1ccccc1C
InChIInChI=1S/C16H16O2/c1-3-16(17)18-15-11-7-6-10-14(15)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3
InChIKeyRVKQALUWOHTDPJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.98
Rot. Bonds3

About [2-(2-methylphenyl)phenyl] propanoate

[2-(2-methylphenyl)phenyl] propanoate (PubChem CID 145045577) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [2-(2-methylphenyl)phenyl] propanoate.

Molecular Properties

Compound Name[2-(2-methylphenyl)phenyl] propanoate
PubChem CID145045577
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[2-(2-methylphenyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1-c1ccccc1C
InChIInChI=1S/C16H16O2/c1-3-16(17)18-15-11-7-6-10-14(15)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3
InChIKeyRVKQALUWOHTDPJ-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-methylphenyl)phenyl] oxalate
CID 70127324
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
[2-(propan-2-ylamino)phenyl] propanoate
CID 166978043
2-propanoyloxybenzoate
CID 23200401
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
(2-propanoyloxyphenyl) 2-methylbutanoate
CID 90024366
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
[2-(2-sulfanylacetyl)phenyl] propanoate
CID 87997149
phenyl propanoate
CID 161258381
[3-(2-methylphenyl)-2-pentylphenyl] hydrogen carbonate
CID 67181301
(2-methylphenyl) 3,3-dimethylbutanoate
CID 78776850

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)phenyl] propanoate?
The IUPAC name of [2-(2-methylphenyl)phenyl] propanoate (CID 145045577) is [2-(2-methylphenyl)phenyl] propanoate.
What is the SMILES notation for [2-(2-methylphenyl)phenyl] propanoate?
The canonical SMILES for [2-(2-methylphenyl)phenyl] propanoate is CCC(=O)Oc1ccccc1-c1ccccc1C.
What is the InChIKey of [2-(2-methylphenyl)phenyl] propanoate?
The InChIKey is RVKQALUWOHTDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-16(17)18-15-11-7-6-10-14(15)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3.
What are the key properties of [2-(2-methylphenyl)phenyl] propanoate?
[2-(2-methylphenyl)phenyl] propanoate has a molecular weight of 240.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)phenyl] propanoate is sourced from PubChem (CID 145045577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).