benzyl benzoate

C14H12O2 — CID 2345

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IUPACbenzyl benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeySESFRYSPDFLNCH-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.04
Rot. Bonds3

About benzyl benzoate

benzyl benzoate (PubChem CID 2345) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is benzyl benzoate.

Molecular Properties

Compound Namebenzyl benzoate
PubChem CID2345
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Namebenzyl benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeySESFRYSPDFLNCH-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl acetate;benzyl benzoate
CID 158805672
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl 4-bromobenzoate
CID 603177
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 3-hydroxybenzoate
CID 11736317
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl 4-dimethylboranylbenzoate
CID 58436969
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
[3,5-bis(bromomethyl)phenyl]methyl benzoate
CID 102160107

Frequently Asked Questions

What is the IUPAC name of benzyl benzoate?
The IUPAC name of benzyl benzoate (CID 2345) is benzyl benzoate.
What is the SMILES notation for benzyl benzoate?
The canonical SMILES for benzyl benzoate is O=C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl benzoate?
The InChIKey is SESFRYSPDFLNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of benzyl benzoate?
benzyl benzoate has a molecular weight of 212.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl benzoate is sourced from PubChem (CID 2345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).