2-phenoxyundecanal

C17H26O2 — CID 57130450

IUPAC2-phenoxyundecanal
SMILESCCCCCCCCCC(C=O)Oc1ccccc1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-9-14-17(15-18)19-16-12-10-8-11-13-16/h8,10-13,15,17H,2-7,9,14H2,1H3
InChIKeyRRSLOKCHCYEGEY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.77
Rot. Bonds11

About 2-phenoxyundecanal

2-phenoxyundecanal (PubChem CID 57130450) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-phenoxyundecanal.

Molecular Properties

Compound Name2-phenoxyundecanal
PubChem CID57130450
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-phenoxyundecanal
SMILESCCCCCCCCCC(C=O)Oc1ccccc1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-9-14-17(15-18)19-16-12-10-8-11-13-16/h8,10-13,15,17H,2-7,9,14H2,1H3
InChIKeyRRSLOKCHCYEGEY-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenoxy-2-propanone
CID 69313
Octadecanoic acid, phenyl ester
CID 69477
Phenoxyacetaldehyde
CID 75033
Phenyl laurate
CID 77903
Lauryl phenyl ether
CID 294549
11-Phenoxyundecanoic acid
CID 81597
Phenyl octanoate
CID 229895
Phenoxyethyl caprylate
CID 59236950
1,1,1-Trifluoro-8-phenoxyoctan-2-one
CID 44342886
4-(6-Phenoxyhexyl)heptane-3,5-dione
CID 514057
Acetaldehyde, (4-methoxyphenoxy)-
CID 96383
Ethyl 2-oxo-7-phenoxyheptanoate
CID 18370762

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyundecanal?
The IUPAC name of 2-phenoxyundecanal (CID 57130450) is 2-phenoxyundecanal.
What is the SMILES notation for 2-phenoxyundecanal?
The canonical SMILES for 2-phenoxyundecanal is CCCCCCCCCC(C=O)Oc1ccccc1.
What is the InChIKey of 2-phenoxyundecanal?
The InChIKey is RRSLOKCHCYEGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-7-9-14-17(15-18)19-16-12-10-8-11-13-16/h8,10-13,15,17H,2-7,9,14H2,1H3.
What are the key properties of 2-phenoxyundecanal?
2-phenoxyundecanal has a molecular weight of 262.39 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyundecanal is sourced from PubChem (CID 57130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).