dodecyl 2-(2-phenylphenyl)acetate

C26H36O2 — CID 54053058

IUPACdodecyl 2-(2-phenylphenyl)acetate
SMILESCCCCCCCCCCCCOC(=O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-10-16-21-28-26(27)22-24-19-14-15-20-25(24)23-17-12-11-13-18-23/h11-15,17-20H,2-10,16,21-22H2,1H3
InChIKeyLUHKRPQUMDKTPT-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.36
Rot. Bonds14

About dodecyl 2-(2-phenylphenyl)acetate

dodecyl 2-(2-phenylphenyl)acetate (PubChem CID 54053058) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is dodecyl 2-(2-phenylphenyl)acetate.

Molecular Properties

Compound Namedodecyl 2-(2-phenylphenyl)acetate
PubChem CID54053058
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Namedodecyl 2-(2-phenylphenyl)acetate
SMILESCCCCCCCCCCCCOC(=O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-10-16-21-28-26(27)22-24-19-14-15-20-25(24)23-17-12-11-13-18-23/h11-15,17-20H,2-10,16,21-22H2,1H3
InChIKeyLUHKRPQUMDKTPT-UHFFFAOYSA-N
XLogP7.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.36
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

octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
decyl 2-(4-phenylphenyl)acetate
CID 121280824
octyl 2-phenylacetate;oxophosphanium
CID 160645862
1-O-pentyl 10-O-(2-phenylphenyl) decanedioate
CID 91725688
1-O-octyl 10-O-(2-phenylphenyl) decanedioate
CID 91725692
decyl 2-[4-(2-chlorophenyl)phenyl]acetate
CID 121325059
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
hexyl (2-phenylphenyl) carbonate
CID 67180373
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
dioctyl 3-(2-phenylphenyl)benzene-1,2-dicarboxylate
CID 139981286
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-(2-phenylphenyl)acetate?
The IUPAC name of dodecyl 2-(2-phenylphenyl)acetate (CID 54053058) is dodecyl 2-(2-phenylphenyl)acetate.
What is the SMILES notation for dodecyl 2-(2-phenylphenyl)acetate?
The canonical SMILES for dodecyl 2-(2-phenylphenyl)acetate is CCCCCCCCCCCCOC(=O)Cc1ccccc1-c1ccccc1.
What is the InChIKey of dodecyl 2-(2-phenylphenyl)acetate?
The InChIKey is LUHKRPQUMDKTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-10-16-21-28-26(27)22-24-19-14-15-20-25(24)23-17-12-11-13-18-23/h11-15,17-20H,2-10,16,21-22H2,1H3.
What are the key properties of dodecyl 2-(2-phenylphenyl)acetate?
dodecyl 2-(2-phenylphenyl)acetate has a molecular weight of 380.57 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(2-phenylphenyl)acetate is sourced from PubChem (CID 54053058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).