ethyl 4-(2-phenylphenyl)butanoate

C18H20O2 — CID 67832505

IUPACethyl 4-(2-phenylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O2/c1-2-20-18(19)14-8-12-16-11-6-7-13-17(16)15-9-4-3-5-10-15/h3-7,9-11,13H,2,8,12,14H2,1H3
InChIKeyRNBYQLKTQUEDAW-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.24
Rot. Bonds6

About ethyl 4-(2-phenylphenyl)butanoate

ethyl 4-(2-phenylphenyl)butanoate (PubChem CID 67832505) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 4-(2-phenylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-phenylphenyl)butanoate
PubChem CID67832505
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Nameethyl 4-(2-phenylphenyl)butanoate
SMILESCCOC(=O)CCCc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O2/c1-2-20-18(19)14-8-12-16-11-6-7-13-17(16)15-9-4-3-5-10-15/h3-7,9-11,13H,2,8,12,14H2,1H3
InChIKeyRNBYQLKTQUEDAW-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
diethyl 2-[(2-phenylphenyl)methyl]hexanedioate
CID 15913968
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159
ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate
CID 159268955
ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
CID 160730558
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
ethyl 4-(2-diphenylphosphanylphenyl)butanoate;hydrobromide
CID 172866097
ethyl 17-(2-aminophenyl)heptadecanoate
CID 21163280
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
4-(4-ethoxy-4-oxobutyl)naphthalene-1-carboxylic acid
CID 71469361
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylphenyl)butanoate?
The IUPAC name of ethyl 4-(2-phenylphenyl)butanoate (CID 67832505) is ethyl 4-(2-phenylphenyl)butanoate.
What is the SMILES notation for ethyl 4-(2-phenylphenyl)butanoate?
The canonical SMILES for ethyl 4-(2-phenylphenyl)butanoate is CCOC(=O)CCCc1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 4-(2-phenylphenyl)butanoate?
The InChIKey is RNBYQLKTQUEDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-20-18(19)14-8-12-16-11-6-7-13-17(16)15-9-4-3-5-10-15/h3-7,9-11,13H,2,8,12,14H2,1H3.
What are the key properties of ethyl 4-(2-phenylphenyl)butanoate?
ethyl 4-(2-phenylphenyl)butanoate has a molecular weight of 268.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylphenyl)butanoate is sourced from PubChem (CID 67832505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).