methyl 10-phenyldecanoate

C17H26O2 — CID 561590

IUPACmethyl 10-phenyldecanoate
SMILESCOC(=O)CCCCCCCCCc1ccccc1
InChIInChI=1S/C17H26O2/c1-19-17(18)15-11-6-4-2-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,2-6,8,11-12,15H2,1H3
InChIKeyITIIGCZVLUSYJQ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.52
Rot. Bonds10

About methyl 10-phenyldecanoate

methyl 10-phenyldecanoate (PubChem CID 561590) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is methyl 10-phenyldecanoate.

Molecular Properties

Compound Namemethyl 10-phenyldecanoate
PubChem CID561590
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namemethyl 10-phenyldecanoate
SMILESCOC(=O)CCCCCCCCCc1ccccc1
InChIInChI=1S/C17H26O2/c1-19-17(18)15-11-6-4-2-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,2-6,8,11-12,15H2,1H3
InChIKeyITIIGCZVLUSYJQ-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.52
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 10-phenyldecanoate?
The IUPAC name of methyl 10-phenyldecanoate (CID 561590) is methyl 10-phenyldecanoate.
What is the SMILES notation for methyl 10-phenyldecanoate?
The canonical SMILES for methyl 10-phenyldecanoate is COC(=O)CCCCCCCCCc1ccccc1.
What is the InChIKey of methyl 10-phenyldecanoate?
The InChIKey is ITIIGCZVLUSYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-19-17(18)15-11-6-4-2-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,2-6,8,11-12,15H2,1H3.
What are the key properties of methyl 10-phenyldecanoate?
methyl 10-phenyldecanoate has a molecular weight of 262.39 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-phenyldecanoate is sourced from PubChem (CID 561590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).