18-phenyloctadecyl formate

C25H42O2 — CID 173425595

IUPAC18-phenyloctadecyl formate
SMILESO=COCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C25H42O2/c26-24-27-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-25-21-17-15-18-22-25/h15,17-18,21-22,24H,1-14,16,19-20,23H2
InChIKeyWLRBLSUFLRCFJO-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.64
Rot. Bonds20

About 18-phenyloctadecyl formate

18-phenyloctadecyl formate (PubChem CID 173425595) has the molecular formula C25H42O2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 18-phenyloctadecyl formate.

Molecular Properties

Compound Name18-phenyloctadecyl formate
PubChem CID173425595
Molecular FormulaC25H42O2
Molecular Weight374.61 g/mol
Exact Mass374.32
IUPAC Name18-phenyloctadecyl formate
SMILESO=COCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C25H42O2/c26-24-27-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-25-21-17-15-18-22-25/h15,17-18,21-22,24H,1-14,16,19-20,23H2
InChIKeyWLRBLSUFLRCFJO-UHFFFAOYSA-N
XLogP7.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.64
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

6-(5-phenylpentoxy)hexyl formate
CID 87852728
5-(4-phenylmethoxyphenyl)pentyl formate
CID 87852449
8-(8-phenyloctoxy)octylbenzene
CID 56628536
7-methoxyheptylbenzene
CID 54276867
4-phenylbutylbenzene
CID 141301927
12-(trifluoromethoxy)dodecylbenzene
CID 59366570
3-(4-aminophenyl)propyl formate
CID 87851882
8-phenyloctyl carbamate
CID 67180735
(7-oxo-7-phenylheptyl) formate
CID 87851499
4-phenylbutyl hypochlorite
CID 165357420
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 18-phenyloctadecyl formate?
The IUPAC name of 18-phenyloctadecyl formate (CID 173425595) is 18-phenyloctadecyl formate.
What is the SMILES notation for 18-phenyloctadecyl formate?
The canonical SMILES for 18-phenyloctadecyl formate is O=COCCCCCCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 18-phenyloctadecyl formate?
The InChIKey is WLRBLSUFLRCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2/c26-24-27-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-25-21-17-15-18-22-25/h15,17-18,21-22,24H,1-14,16,19-20,23H2.
What are the key properties of 18-phenyloctadecyl formate?
18-phenyloctadecyl formate has a molecular weight of 374.61 g/mol, XLogP of 7.64, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-phenyloctadecyl formate is sourced from PubChem (CID 173425595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).