6-(4-methylphenoxy)hexyl formate

C14H20O3 — CID 143732521

IUPAC6-(4-methylphenoxy)hexyl formate
SMILESCc1ccc(OCCCCCCOC=O)cc1
InChIInChI=1S/C14H20O3/c1-13-6-8-14(9-7-13)17-11-5-3-2-4-10-16-12-15/h6-9,12H,2-5,10-11H2,1H3
InChIKeyWYRIRDWOJQCRCG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds9

About 6-(4-methylphenoxy)hexyl formate

6-(4-methylphenoxy)hexyl formate (PubChem CID 143732521) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-(4-methylphenoxy)hexyl formate.

Molecular Properties

Compound Name6-(4-methylphenoxy)hexyl formate
PubChem CID143732521
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name6-(4-methylphenoxy)hexyl formate
SMILESCc1ccc(OCCCCCCOC=O)cc1
InChIInChI=1S/C14H20O3/c1-13-6-8-14(9-7-13)17-11-5-3-2-4-10-16-12-15/h6-9,12H,2-5,10-11H2,1H3
InChIKeyWYRIRDWOJQCRCG-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-formylphenoxy)hexyl formate
CID 144750186
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
4-(4-formyloxybutoxy)benzoic acid
CID 143677137
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
5-formyloxypentyl 4-(4-methoxybutoxy)benzoate
CID 90194224
3-formyloxypropyl 4-(6-methoxyhexoxy)benzoate
CID 122550535
ethane;formic acid;1-hexoxy-4-[2-(4-methylphenyl)ethynyl]benzene
CID 154693915

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)hexyl formate?
The IUPAC name of 6-(4-methylphenoxy)hexyl formate (CID 143732521) is 6-(4-methylphenoxy)hexyl formate.
What is the SMILES notation for 6-(4-methylphenoxy)hexyl formate?
The canonical SMILES for 6-(4-methylphenoxy)hexyl formate is Cc1ccc(OCCCCCCOC=O)cc1.
What is the InChIKey of 6-(4-methylphenoxy)hexyl formate?
The InChIKey is WYRIRDWOJQCRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-13-6-8-14(9-7-13)17-11-5-3-2-4-10-16-12-15/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of 6-(4-methylphenoxy)hexyl formate?
6-(4-methylphenoxy)hexyl formate has a molecular weight of 236.31 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)hexyl formate is sourced from PubChem (CID 143732521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).