methyl 2-phenyldecanoate

C17H26O2 — CID 102031422

IUPACmethyl 2-phenyldecanoate
SMILESCCCCCCCCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-7-11-14-16(17(18)19-2)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3
InChIKeyXOGWZXDYWBNENT-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.69
Rot. Bonds9

About methyl 2-phenyldecanoate

methyl 2-phenyldecanoate (PubChem CID 102031422) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is methyl 2-phenyldecanoate.

Molecular Properties

Compound Namemethyl 2-phenyldecanoate
PubChem CID102031422
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namemethyl 2-phenyldecanoate
SMILESCCCCCCCCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-7-11-14-16(17(18)19-2)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3
InChIKeyXOGWZXDYWBNENT-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyldecanoate?
The IUPAC name of methyl 2-phenyldecanoate (CID 102031422) is methyl 2-phenyldecanoate.
What is the SMILES notation for methyl 2-phenyldecanoate?
The canonical SMILES for methyl 2-phenyldecanoate is CCCCCCCCC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-phenyldecanoate?
The InChIKey is XOGWZXDYWBNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-4-5-6-7-11-14-16(17(18)19-2)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3.
What are the key properties of methyl 2-phenyldecanoate?
methyl 2-phenyldecanoate has a molecular weight of 262.39 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyldecanoate is sourced from PubChem (CID 102031422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).