benzyl 4-phenylbutanoate

C17H18O2 — CID 11961623

IUPACbenzyl 4-phenylbutanoate
SMILESO=C(CCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChIKeyCNUZXGDIRMXKJV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.75
Rot. Bonds6

About benzyl 4-phenylbutanoate

benzyl 4-phenylbutanoate (PubChem CID 11961623) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is benzyl 4-phenylbutanoate.

Molecular Properties

Compound Namebenzyl 4-phenylbutanoate
PubChem CID11961623
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namebenzyl 4-phenylbutanoate
SMILESO=C(CCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChIKeyCNUZXGDIRMXKJV-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
azane;benzyl 3-phenylpropanoate
CID 175136325
[4-(4-oxo-4-phenylmethoxybutyl)phenyl] benzoate
CID 141435964
benzyl 5-hydroxypentanoate
CID 19788674
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
bis(3-phenylpropyl) hexanedioate
CID 59854363
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate
CID 140798885
dibenzyl 4-oxoheptanedioate
CID 14639376
benzyl 6-aminohexanoate;hydrochloride
CID 67401791

Frequently Asked Questions

What is the IUPAC name of benzyl 4-phenylbutanoate?
The IUPAC name of benzyl 4-phenylbutanoate (CID 11961623) is benzyl 4-phenylbutanoate.
What is the SMILES notation for benzyl 4-phenylbutanoate?
The canonical SMILES for benzyl 4-phenylbutanoate is O=C(CCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 4-phenylbutanoate?
The InChIKey is CNUZXGDIRMXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2.
What are the key properties of benzyl 4-phenylbutanoate?
benzyl 4-phenylbutanoate has a molecular weight of 254.33 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-phenylbutanoate is sourced from PubChem (CID 11961623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).