2-phenylethyl 3-phenylpropanoate

C17H18O2 — CID 520360

IUPAC2-phenylethyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyQQNDZUIFXZRWFO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.41
Rot. Bonds6

About 2-phenylethyl 3-phenylpropanoate

2-phenylethyl 3-phenylpropanoate (PubChem CID 520360) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-phenylethyl 3-phenylpropanoate.

Molecular Properties

Compound Name2-phenylethyl 3-phenylpropanoate
PubChem CID520360
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-phenylethyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyQQNDZUIFXZRWFO-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenylethyl 3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
2-Phenylethyl Acetate
CID 7654
Phenethyl phenylacetate
CID 7601
Phenethyl butyrate
CID 7658
Benzyl phenylacetate
CID 60999
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Phenethyl Cinnamate
CID 5369459

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 3-phenylpropanoate?
The IUPAC name of 2-phenylethyl 3-phenylpropanoate (CID 520360) is 2-phenylethyl 3-phenylpropanoate.
What is the SMILES notation for 2-phenylethyl 3-phenylpropanoate?
The canonical SMILES for 2-phenylethyl 3-phenylpropanoate is O=C(CCc1ccccc1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 3-phenylpropanoate?
The InChIKey is QQNDZUIFXZRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 2-phenylethyl 3-phenylpropanoate?
2-phenylethyl 3-phenylpropanoate has a molecular weight of 254.33 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 3-phenylpropanoate is sourced from PubChem (CID 520360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).