benzyl acetate;benzyl benzoate

C23H22O4 — CID 158805672

IUPACbenzyl acetate;benzyl benzoate
SMILESCC(=O)OCc1ccccc1.O=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2.C9H10O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;1-8(10)11-7-9-5-3-2-4-6-9/h1-10H,11H2;2-6H,7H2,1H3
InChIKeyIUAWDULMCOWRAD-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.79
Rot. Bonds5

About benzyl acetate;benzyl benzoate

benzyl acetate;benzyl benzoate (PubChem CID 158805672) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzyl acetate;benzyl benzoate.

Molecular Properties

Compound Namebenzyl acetate;benzyl benzoate
PubChem CID158805672
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Namebenzyl acetate;benzyl benzoate
SMILESCC(=O)OCc1ccccc1.O=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2.C9H10O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;1-8(10)11-7-9-5-3-2-4-6-9/h1-10H,11H2;2-6H,7H2,1H3
InChIKeyIUAWDULMCOWRAD-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl benzoate
CID 2345
benzyl acetate
CID 8785
benzyl 4-acetylbenzoate
CID 590101
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl 4-acetyloxybenzoate
CID 734064
benzyl acetate;formonitrile
CID 175329925
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl acetate;carbon monoxide;chromium
CID 11196913
benzyl benzoate;ethyl 3-oxobutanoate
CID 174984121
benzyl 3-acetyloxybenzoate
CID 11334719

Frequently Asked Questions

What is the IUPAC name of benzyl acetate;benzyl benzoate?
The IUPAC name of benzyl acetate;benzyl benzoate (CID 158805672) is benzyl acetate;benzyl benzoate.
What is the SMILES notation for benzyl acetate;benzyl benzoate?
The canonical SMILES for benzyl acetate;benzyl benzoate is CC(=O)OCc1ccccc1.O=C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl acetate;benzyl benzoate?
The InChIKey is IUAWDULMCOWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C9H10O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;1-8(10)11-7-9-5-3-2-4-6-9/h1-10H,11H2;2-6H,7H2,1H3.
What are the key properties of benzyl acetate;benzyl benzoate?
benzyl acetate;benzyl benzoate has a molecular weight of 362.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl acetate;benzyl benzoate is sourced from PubChem (CID 158805672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).