1-phenylpropyl 2-phenylacetate

C17H18O2 — CID 59360641

IUPAC1-phenylpropyl 2-phenylacetate
SMILESCCC(OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-2-16(15-11-7-4-8-12-15)19-17(18)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChIKeyJVXCRCNAUQKBTL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds5

About 1-phenylpropyl 2-phenylacetate

1-phenylpropyl 2-phenylacetate (PubChem CID 59360641) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-phenylpropyl 2-phenylacetate.

Molecular Properties

Compound Name1-phenylpropyl 2-phenylacetate
PubChem CID59360641
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-phenylpropyl 2-phenylacetate
SMILESCCC(OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-2-16(15-11-7-4-8-12-15)19-17(18)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChIKeyJVXCRCNAUQKBTL-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylpropyl 2-pyridin-4-ylacetate
CID 11780100
1-phenylpropyl 2-hydroxyacetate
CID 174847309
1-phenylpropyl 2-phenylethaneperoxoate
CID 174752064
[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
CID 23615535
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
1-phenylbutan-2-yl 2-phenylacetate
CID 86053968
1-phenylpropyl 2-phenylpropanoate
CID 174489936
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
1-phenylpropyl 2-hydroxybenzoate
CID 101286985
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropyl 2-phenylacetate?
The IUPAC name of 1-phenylpropyl 2-phenylacetate (CID 59360641) is 1-phenylpropyl 2-phenylacetate.
What is the SMILES notation for 1-phenylpropyl 2-phenylacetate?
The canonical SMILES for 1-phenylpropyl 2-phenylacetate is CCC(OC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylpropyl 2-phenylacetate?
The InChIKey is JVXCRCNAUQKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-16(15-11-7-4-8-12-15)19-17(18)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3.
What are the key properties of 1-phenylpropyl 2-phenylacetate?
1-phenylpropyl 2-phenylacetate has a molecular weight of 254.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropyl 2-phenylacetate is sourced from PubChem (CID 59360641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).