ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid

C30H28O4 — CID 70442423

IUPACethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
SMILESCCOC(=O)Cc1ccc(-c2ccccc2)cc1.O=C(O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O2.C14H12O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14;15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h3-11H,2,12H2,1H3;1-9H,10H2,(H,15,16)
InChIKeyHIOGXFMOMBVEEC-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.44
Rot. Bonds7

About ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid

ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid (PubChem CID 70442423) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid.

Molecular Properties

Compound Nameethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
PubChem CID70442423
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Nameethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
SMILESCCOC(=O)Cc1ccc(-c2ccccc2)cc1.O=C(O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O2.C14H12O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14;15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h3-11H,2,12H2,1H3;1-9H,10H2,(H,15,16)
InChIKeyHIOGXFMOMBVEEC-UHFFFAOYSA-N
XLogP6.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159
ethyl 4-(2-phenylphenyl)butanoate
CID 67832505
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
decyl 2-(4-phenylphenyl)acetate
CID 121280824
ethyl 4-phenyl-2-[[2-[2-(4-phenylphenyl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 23848884
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid?
The IUPAC name of ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid (CID 70442423) is ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid.
What is the SMILES notation for ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid?
The canonical SMILES for ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid is CCOC(=O)Cc1ccc(-c2ccccc2)cc1.O=C(O)Cc1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid?
The InChIKey is HIOGXFMOMBVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2.C14H12O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14;15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h3-11H,2,12H2,1H3;1-9H,10H2,(H,15,16).
What are the key properties of ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid?
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid has a molecular weight of 452.55 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid is sourced from PubChem (CID 70442423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).