2-[5-(4-methylphenyl)pentoxy]ethyl acetate

C16H24O3 — CID 57045041

IUPAC2-[5-(4-methylphenyl)pentoxy]ethyl acetate
SMILESCC(=O)OCCOCCCCCc1ccc(C)cc1
InChIInChI=1S/C16H24O3/c1-14-7-9-16(10-8-14)6-4-3-5-11-18-12-13-19-15(2)17/h7-10H,3-6,11-13H2,1-2H3
InChIKeyYHEVCLJSDVAOGK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.29
Rot. Bonds9

About 2-[5-(4-methylphenyl)pentoxy]ethyl acetate

2-[5-(4-methylphenyl)pentoxy]ethyl acetate (PubChem CID 57045041) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)pentoxy]ethyl acetate.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)pentoxy]ethyl acetate
PubChem CID57045041
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-[5-(4-methylphenyl)pentoxy]ethyl acetate
SMILESCC(=O)OCCOCCCCCc1ccc(C)cc1
InChIInChI=1S/C16H24O3/c1-14-7-9-16(10-8-14)6-4-3-5-11-18-12-13-19-15(2)17/h7-10H,3-6,11-13H2,1-2H3
InChIKeyYHEVCLJSDVAOGK-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
[3-methylidene-7-(4-methylphenyl)heptyl] acetate
CID 143300783
9-(6-methylnaphthalen-2-yl)nonyl acetate
CID 171920221
6-(4-chlorophenyl)hexyl acetate
CID 139787467
4-(4-iodophenyl)butyl acetate
CID 67358099
6-[4-(4-methylphenyl)phenyl]hexyl propanoate
CID 101128316
N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
CID 134579947
butyl 4-(2-acetyloxyethoxy)butanoate;1,4-xylene
CID 67946449
5-(4-nitrophenyl)pentyl acetate
CID 101451915
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
2-(2-decoxyethoxy)ethyl acetate
CID 526732

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)pentoxy]ethyl acetate?
The IUPAC name of 2-[5-(4-methylphenyl)pentoxy]ethyl acetate (CID 57045041) is 2-[5-(4-methylphenyl)pentoxy]ethyl acetate.
What is the SMILES notation for 2-[5-(4-methylphenyl)pentoxy]ethyl acetate?
The canonical SMILES for 2-[5-(4-methylphenyl)pentoxy]ethyl acetate is CC(=O)OCCOCCCCCc1ccc(C)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)pentoxy]ethyl acetate?
The InChIKey is YHEVCLJSDVAOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-14-7-9-16(10-8-14)6-4-3-5-11-18-12-13-19-15(2)17/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[5-(4-methylphenyl)pentoxy]ethyl acetate?
2-[5-(4-methylphenyl)pentoxy]ethyl acetate has a molecular weight of 264.37 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)pentoxy]ethyl acetate is sourced from PubChem (CID 57045041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).