(3-phenylphenyl)methyl propanoate

C16H16O2 — CID 67574989

IUPAC(3-phenylphenyl)methyl propanoate
SMILESCCC(=O)OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-2-16(17)18-12-13-7-6-10-15(11-13)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChIKeyAJMWAWJPAUPVSE-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.81
Rot. Bonds4

About (3-phenylphenyl)methyl propanoate

(3-phenylphenyl)methyl propanoate (PubChem CID 67574989) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3-phenylphenyl)methyl propanoate.

Molecular Properties

Compound Name(3-phenylphenyl)methyl propanoate
PubChem CID67574989
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3-phenylphenyl)methyl propanoate
SMILESCCC(=O)OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-2-16(17)18-12-13-7-6-10-15(11-13)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChIKeyAJMWAWJPAUPVSE-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
CID 123340763
[3-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]phenyl]methyl propanoate
CID 175721058
(3-formylphenyl)methyl propanoate
CID 121217637
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161
benzyl propanoate;butyl propanoate
CID 19966788
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
benzyl propanoate;methyl benzoate
CID 70307580
benzyl 4-propanoyloxybutanoate
CID 163613543
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
[3-[3-[3-[methyl(octyl)amino]propanoyloxymethyl]phenyl]phenyl]methyl 3-[methyl(octyl)amino]propanoate
CID 139955286
[3-[3-[[2-[heptyl(pentyl)amino]acetyl]oxymethyl]phenyl]phenyl]methyl 2-[heptyl(pentyl)amino]acetate
CID 139955091

Frequently Asked Questions

What is the IUPAC name of (3-phenylphenyl)methyl propanoate?
The IUPAC name of (3-phenylphenyl)methyl propanoate (CID 67574989) is (3-phenylphenyl)methyl propanoate.
What is the SMILES notation for (3-phenylphenyl)methyl propanoate?
The canonical SMILES for (3-phenylphenyl)methyl propanoate is CCC(=O)OCc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl)methyl propanoate?
The InChIKey is AJMWAWJPAUPVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-16(17)18-12-13-7-6-10-15(11-13)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3.
What are the key properties of (3-phenylphenyl)methyl propanoate?
(3-phenylphenyl)methyl propanoate has a molecular weight of 240.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl)methyl propanoate is sourced from PubChem (CID 67574989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).