phenyl 5-phenylpentanoate

C17H18O2 — CID 10944973

IUPACphenyl 5-phenylpentanoate
SMILESO=C(CCCCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19-16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2
InChIKeyQGHHZJILQNWGDF-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.01
Rot. Bonds6

About phenyl 5-phenylpentanoate

phenyl 5-phenylpentanoate (PubChem CID 10944973) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is phenyl 5-phenylpentanoate.

Molecular Properties

Compound Namephenyl 5-phenylpentanoate
PubChem CID10944973
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namephenyl 5-phenylpentanoate
SMILESO=C(CCCCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19-16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2
InChIKeyQGHHZJILQNWGDF-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

formic acid;phenyl 4-phenylbutanoate
CID 70492478
diphenyl nonanedioate
CID 18428919
CID 70464798
CID 70464798
(4-hydroxyphenyl) 4-phenylbutanoate
CID 66680445
phenyl 6-hydroxy-8-phenyloctanoate
CID 561941
52-oxo-52-phenoxydopentacontanoic acid
CID 139682709
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
44-oxo-44-phenoxytetratetracontanoic acid
CID 139683012
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
phenyl 5-phenoxypentanoate
CID 54534861
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598

Frequently Asked Questions

What is the IUPAC name of phenyl 5-phenylpentanoate?
The IUPAC name of phenyl 5-phenylpentanoate (CID 10944973) is phenyl 5-phenylpentanoate.
What is the SMILES notation for phenyl 5-phenylpentanoate?
The canonical SMILES for phenyl 5-phenylpentanoate is O=C(CCCCc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl 5-phenylpentanoate?
The InChIKey is QGHHZJILQNWGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19-16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2.
What are the key properties of phenyl 5-phenylpentanoate?
phenyl 5-phenylpentanoate has a molecular weight of 254.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-phenylpentanoate is sourced from PubChem (CID 10944973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).