phenyl butanoate;phenyl propanoate

C19H22O4 — CID 139490117

IUPACphenyl butanoate;phenyl propanoate
SMILESCCC(=O)Oc1ccccc1.CCCC(=O)Oc1ccccc1
InChIInChI=1S/C10H12O2.C9H10O2/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-2-9(10)11-8-6-4-3-5-7-8/h3-5,7-8H,2,6H2,1H3;3-7H,2H2,1H3
InChIKeyDMGNGMLLPVSMGC-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.39
Rot. Bonds5

About phenyl butanoate;phenyl propanoate

phenyl butanoate;phenyl propanoate (PubChem CID 139490117) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is phenyl butanoate;phenyl propanoate.

Molecular Properties

Compound Namephenyl butanoate;phenyl propanoate
PubChem CID139490117
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namephenyl butanoate;phenyl propanoate
SMILESCCC(=O)Oc1ccccc1.CCCC(=O)Oc1ccccc1
InChIInChI=1S/C10H12O2.C9H10O2/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-2-9(10)11-8-6-4-3-5-7-8/h3-5,7-8H,2,6H2,1H3;3-7H,2H2,1H3
InChIKeyDMGNGMLLPVSMGC-UHFFFAOYSA-N
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
phenyl propanoate
CID 161258381
carbonochloridic acid;phenyl butanoate
CID 174739979
CID 161494205
CID 161494205
acetamide;phenyl propanoate
CID 175120271
azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate
CID 174766179
CID 172745992
CID 172745992
phenyl tridecanoate
CID 54389784
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598

Frequently Asked Questions

What is the IUPAC name of phenyl butanoate;phenyl propanoate?
The IUPAC name of phenyl butanoate;phenyl propanoate (CID 139490117) is phenyl butanoate;phenyl propanoate.
What is the SMILES notation for phenyl butanoate;phenyl propanoate?
The canonical SMILES for phenyl butanoate;phenyl propanoate is CCC(=O)Oc1ccccc1.CCCC(=O)Oc1ccccc1.
What is the InChIKey of phenyl butanoate;phenyl propanoate?
The InChIKey is DMGNGMLLPVSMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H10O2/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-2-9(10)11-8-6-4-3-5-7-8/h3-5,7-8H,2,6H2,1H3;3-7H,2H2,1H3.
What are the key properties of phenyl butanoate;phenyl propanoate?
phenyl butanoate;phenyl propanoate has a molecular weight of 314.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl butanoate;phenyl propanoate is sourced from PubChem (CID 139490117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).