1-phenylnonyl formate

C16H24O2 — CID 174585088

IUPAC1-phenylnonyl formate
SMILESCCCCCCCCC(OC=O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(18-14-17)15-11-8-7-9-12-15/h7-9,11-12,14,16H,2-6,10,13H2,1H3
InChIKeyAHXYWNALIJOYAB-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.65
Rot. Bonds10

About 1-phenylnonyl formate

1-phenylnonyl formate (PubChem CID 174585088) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-phenylnonyl formate.

Molecular Properties

Compound Name1-phenylnonyl formate
PubChem CID174585088
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-phenylnonyl formate
SMILESCCCCCCCCC(OC=O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(18-14-17)15-11-8-7-9-12-15/h7-9,11-12,14,16H,2-6,10,13H2,1H3
InChIKeyAHXYWNALIJOYAB-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.65
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-phenyldodecyl formate
CID 91598065
1-phenylheptyl formate
CID 174746901
1-phenylpentyl formate
CID 54289292
1-(4-phenylsulfanylphenyl)octyl formate
CID 174853555
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
(2-ethyl-1-phenyldecyl) formate
CID 174631629
(2-ethyl-1-phenylheptyl) formate
CID 174539302
1-ethoxydecylbenzene
CID 71423896
bis(1-phenyloctyl) carbonate
CID 67179048
1-dodecoxyhexylbenzene
CID 174774790
tris(1-phenylhexyl) phosphate
CID 69250581
tetrakis(1-phenylnonyl carbonate);tin(4+)
CID 162188042

Frequently Asked Questions

What is the IUPAC name of 1-phenylnonyl formate?
The IUPAC name of 1-phenylnonyl formate (CID 174585088) is 1-phenylnonyl formate.
What is the SMILES notation for 1-phenylnonyl formate?
The canonical SMILES for 1-phenylnonyl formate is CCCCCCCCC(OC=O)c1ccccc1.
What is the InChIKey of 1-phenylnonyl formate?
The InChIKey is AHXYWNALIJOYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(18-14-17)15-11-8-7-9-12-15/h7-9,11-12,14,16H,2-6,10,13H2,1H3.
What are the key properties of 1-phenylnonyl formate?
1-phenylnonyl formate has a molecular weight of 248.37 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylnonyl formate is sourced from PubChem (CID 174585088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).