benzyl propanoate;methyl benzoate

C18H20O4 — CID 70307580

IUPACbenzyl propanoate;methyl benzoate
SMILESCCC(=O)OCc1ccccc1.COC(=O)c1ccccc1
InChIInChI=1S/C10H12O2.C8H8O2/c1-2-10(11)12-8-9-6-4-3-5-7-9;1-10-8(9)7-5-3-2-4-6-7/h3-7H,2,8H2,1H3;2-6H,1H3
InChIKeyCHMCNYLVMNUQCY-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.61
Rot. Bonds4

About benzyl propanoate;methyl benzoate

benzyl propanoate;methyl benzoate (PubChem CID 70307580) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is benzyl propanoate;methyl benzoate.

Molecular Properties

Compound Namebenzyl propanoate;methyl benzoate
PubChem CID70307580
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namebenzyl propanoate;methyl benzoate
SMILESCCC(=O)OCc1ccccc1.COC(=O)c1ccccc1
InChIInChI=1S/C10H12O2.C8H8O2/c1-2-10(11)12-8-9-6-4-3-5-7-9;1-10-8(9)7-5-3-2-4-6-7/h3-7H,2,8H2,1H3;2-6H,1H3
InChIKeyCHMCNYLVMNUQCY-UHFFFAOYSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl benzoate
CID 2345
benzyl propanoate;butyl propanoate
CID 19966788
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
benzyl 4-propanoyloxybutanoate
CID 163613543
benzyl benzoate;ethyl 3-oxobutanoate
CID 174984121
methyl benzoate;pentane
CID 142510193
methyl 4-(2-chloro-3-oxo-3-phenylmethoxypropanoyl)benzoate
CID 86760570
methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768380

Frequently Asked Questions

What is the IUPAC name of benzyl propanoate;methyl benzoate?
The IUPAC name of benzyl propanoate;methyl benzoate (CID 70307580) is benzyl propanoate;methyl benzoate.
What is the SMILES notation for benzyl propanoate;methyl benzoate?
The canonical SMILES for benzyl propanoate;methyl benzoate is CCC(=O)OCc1ccccc1.COC(=O)c1ccccc1.
What is the InChIKey of benzyl propanoate;methyl benzoate?
The InChIKey is CHMCNYLVMNUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C8H8O2/c1-2-10(11)12-8-9-6-4-3-5-7-9;1-10-8(9)7-5-3-2-4-6-7/h3-7H,2,8H2,1H3;2-6H,1H3.
What are the key properties of benzyl propanoate;methyl benzoate?
benzyl propanoate;methyl benzoate has a molecular weight of 300.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl propanoate;methyl benzoate is sourced from PubChem (CID 70307580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).