6-(4-formylphenoxy)hexyl formate

C14H18O4 — CID 144750186

IUPAC6-(4-formylphenoxy)hexyl formate
SMILESO=COCCCCCCOc1ccc(C=O)cc1
InChIInChI=1S/C14H18O4/c15-11-13-5-7-14(8-6-13)18-10-4-2-1-3-9-17-12-16/h5-8,11-12H,1-4,9-10H2
InChIKeyPNRUJXUMIPPMLA-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.61
Rot. Bonds10

About 6-(4-formylphenoxy)hexyl formate

6-(4-formylphenoxy)hexyl formate (PubChem CID 144750186) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6-(4-formylphenoxy)hexyl formate.

Molecular Properties

Compound Name6-(4-formylphenoxy)hexyl formate
PubChem CID144750186
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name6-(4-formylphenoxy)hexyl formate
SMILESO=COCCCCCCOc1ccc(C=O)cc1
InChIInChI=1S/C14H18O4/c15-11-13-5-7-14(8-6-13)18-10-4-2-1-3-9-17-12-16/h5-8,11-12H,1-4,9-10H2
InChIKeyPNRUJXUMIPPMLA-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
6-(4-methylphenoxy)hexyl formate
CID 143732521
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-icosoxybenzaldehyde
CID 23127488
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
7-(4-formylphenoxy)heptanoic acid
CID 169448959
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylphenoxy)hexyl formate?
The IUPAC name of 6-(4-formylphenoxy)hexyl formate (CID 144750186) is 6-(4-formylphenoxy)hexyl formate.
What is the SMILES notation for 6-(4-formylphenoxy)hexyl formate?
The canonical SMILES for 6-(4-formylphenoxy)hexyl formate is O=COCCCCCCOc1ccc(C=O)cc1.
What is the InChIKey of 6-(4-formylphenoxy)hexyl formate?
The InChIKey is PNRUJXUMIPPMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-11-13-5-7-14(8-6-13)18-10-4-2-1-3-9-17-12-16/h5-8,11-12H,1-4,9-10H2.
What are the key properties of 6-(4-formylphenoxy)hexyl formate?
6-(4-formylphenoxy)hexyl formate has a molecular weight of 250.29 g/mol, XLogP of 2.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylphenoxy)hexyl formate is sourced from PubChem (CID 144750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).