1-phenylethyl 4-phenylmethoxyoctanoate

C23H30O3 — CID 174608864

IUPAC1-phenylethyl 4-phenylmethoxyoctanoate
SMILESCCCCC(CCC(=O)OC(C)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H30O3/c1-3-4-15-22(25-18-20-11-7-5-8-12-20)16-17-23(24)26-19(2)21-13-9-6-10-14-21/h5-14,19,22H,3-4,15-18H2,1-2H3
InChIKeyARGUZJLCIAQKRL-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.85
Rot. Bonds11

About 1-phenylethyl 4-phenylmethoxyoctanoate

1-phenylethyl 4-phenylmethoxyoctanoate (PubChem CID 174608864) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-phenylethyl 4-phenylmethoxyoctanoate.

Molecular Properties

Compound Name1-phenylethyl 4-phenylmethoxyoctanoate
PubChem CID174608864
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name1-phenylethyl 4-phenylmethoxyoctanoate
SMILESCCCCC(CCC(=O)OC(C)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H30O3/c1-3-4-15-22(25-18-20-11-7-5-8-12-20)16-17-23(24)26-19(2)21-13-9-6-10-14-21/h5-14,19,22H,3-4,15-18H2,1-2H3
InChIKeyARGUZJLCIAQKRL-UHFFFAOYSA-N
XLogP5.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxyphenyl)ethyl pentanoate
CID 67493531
methane;1-phenylethyl butanoate
CID 175131064
1-(4-phenylmethoxyphenyl)ethyl pentacosanoate
CID 23032602
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
14-hydroxy-5-phenylmethoxyoctadecanoic acid
CID 101300135
benzyl 4-(1-hexanoyloxyethyl)benzoate
CID 14597166
3-acetyloxy-14-phenylmethoxyoctadecanoic acid
CID 101301031
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
9-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300091
benzyl 12-hexanoyloxyoctadecanoate
CID 171545043
11-acetyloxy-6-phenylmethoxyoctadecanoic acid
CID 101300775
12-acetyloxy-5-phenylmethoxyoctadecanoic acid
CID 101300743

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 4-phenylmethoxyoctanoate?
The IUPAC name of 1-phenylethyl 4-phenylmethoxyoctanoate (CID 174608864) is 1-phenylethyl 4-phenylmethoxyoctanoate.
What is the SMILES notation for 1-phenylethyl 4-phenylmethoxyoctanoate?
The canonical SMILES for 1-phenylethyl 4-phenylmethoxyoctanoate is CCCCC(CCC(=O)OC(C)c1ccccc1)OCc1ccccc1.
What is the InChIKey of 1-phenylethyl 4-phenylmethoxyoctanoate?
The InChIKey is ARGUZJLCIAQKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-3-4-15-22(25-18-20-11-7-5-8-12-20)16-17-23(24)26-19(2)21-13-9-6-10-14-21/h5-14,19,22H,3-4,15-18H2,1-2H3.
What are the key properties of 1-phenylethyl 4-phenylmethoxyoctanoate?
1-phenylethyl 4-phenylmethoxyoctanoate has a molecular weight of 354.49 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 4-phenylmethoxyoctanoate is sourced from PubChem (CID 174608864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).