decyl 2-(4-phenylphenyl)acetate

C24H32O2 — CID 121280824

IUPACdecyl 2-(4-phenylphenyl)acetate
SMILESCCCCCCCCCCOC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H32O2/c1-2-3-4-5-6-7-8-12-19-26-24(25)20-21-15-17-23(18-16-21)22-13-10-9-11-14-22/h9-11,13-18H,2-8,12,19-20H2,1H3
InChIKeyLWJMLQBDLYMMEI-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.58
Rot. Bonds12

About decyl 2-(4-phenylphenyl)acetate

decyl 2-(4-phenylphenyl)acetate (PubChem CID 121280824) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is decyl 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Namedecyl 2-(4-phenylphenyl)acetate
PubChem CID121280824
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Namedecyl 2-(4-phenylphenyl)acetate
SMILESCCCCCCCCCCOC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H32O2/c1-2-3-4-5-6-7-8-12-19-26-24(25)20-21-15-17-23(18-16-21)22-13-10-9-11-14-22/h9-11,13-18H,2-8,12,19-20H2,1H3
InChIKeyLWJMLQBDLYMMEI-UHFFFAOYSA-N
XLogP6.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
decyl 2-[4-(4-propylphenyl)phenyl]acetate
CID 121329523
octyl 2-phenylacetate;oxophosphanium
CID 160645862
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
decyl 2-[4-(2-chlorophenyl)phenyl]acetate
CID 121325059
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058
1-O-heptyl 10-O-(4-phenylphenyl) decanedioate
CID 91725709
1-O-octyl 6-O-(4-phenylphenyl) hexanedioate
CID 91725674
1-O-hexyl 6-O-(4-phenylphenyl) hexanedioate
CID 91725672
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
2-pentoxybenzoic acid;pentyl 2-phenylacetate
CID 161192270

Frequently Asked Questions

What is the IUPAC name of decyl 2-(4-phenylphenyl)acetate?
The IUPAC name of decyl 2-(4-phenylphenyl)acetate (CID 121280824) is decyl 2-(4-phenylphenyl)acetate.
What is the SMILES notation for decyl 2-(4-phenylphenyl)acetate?
The canonical SMILES for decyl 2-(4-phenylphenyl)acetate is CCCCCCCCCCOC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of decyl 2-(4-phenylphenyl)acetate?
The InChIKey is LWJMLQBDLYMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-2-3-4-5-6-7-8-12-19-26-24(25)20-21-15-17-23(18-16-21)22-13-10-9-11-14-22/h9-11,13-18H,2-8,12,19-20H2,1H3.
What are the key properties of decyl 2-(4-phenylphenyl)acetate?
decyl 2-(4-phenylphenyl)acetate has a molecular weight of 352.52 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 121280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).