benzyl benzoate;2-phenylacetic acid

C22H20O4 — CID 70386781

IUPACbenzyl benzoate;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.O=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2.C8H8O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;9-8(10)6-7-4-2-1-3-5-7/h1-10H,11H2;1-5H,6H2,(H,9,10)
InChIKeyQZAYNEKOSYASOM-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.36
Rot. Bonds5

About benzyl benzoate;2-phenylacetic acid

benzyl benzoate;2-phenylacetic acid (PubChem CID 70386781) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is benzyl benzoate;2-phenylacetic acid.

Molecular Properties

Compound Namebenzyl benzoate;2-phenylacetic acid
PubChem CID70386781
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Namebenzyl benzoate;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.O=C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2.C8H8O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;9-8(10)6-7-4-2-1-3-5-7/h1-10H,11H2;1-5H,6H2,(H,9,10)
InChIKeyQZAYNEKOSYASOM-UHFFFAOYSA-N
XLogP4.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl benzoate
CID 2345
benzyl acetate;benzyl benzoate
CID 158805672
2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
CID 140983421
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-acetylbenzoate
CID 590101
benzyl 4-bromobenzoate
CID 603177
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 4-acetyloxybenzoate
CID 734064
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of benzyl benzoate;2-phenylacetic acid?
The IUPAC name of benzyl benzoate;2-phenylacetic acid (CID 70386781) is benzyl benzoate;2-phenylacetic acid.
What is the SMILES notation for benzyl benzoate;2-phenylacetic acid?
The canonical SMILES for benzyl benzoate;2-phenylacetic acid is O=C(O)Cc1ccccc1.O=C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl benzoate;2-phenylacetic acid?
The InChIKey is QZAYNEKOSYASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C8H8O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;9-8(10)6-7-4-2-1-3-5-7/h1-10H,11H2;1-5H,6H2,(H,9,10).
What are the key properties of benzyl benzoate;2-phenylacetic acid?
benzyl benzoate;2-phenylacetic acid has a molecular weight of 348.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl benzoate;2-phenylacetic acid is sourced from PubChem (CID 70386781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).