3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate

C16H24O5 — CID 58005998

IUPAC3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
SMILESCOCCCOC(=O)Cc1ccccc1OCCCOC
InChIInChI=1S/C16H24O5/c1-18-9-5-11-20-15-8-4-3-7-14(15)13-16(17)21-12-6-10-19-2/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeySWRDZKAZVMCGJT-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.22
Rot. Bonds11

About 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate

3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate (PubChem CID 58005998) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate.

Molecular Properties

Compound Name3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
PubChem CID58005998
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
SMILESCOCCCOC(=O)Cc1ccccc1OCCCOC
InChIInChI=1S/C16H24O5/c1-18-9-5-11-20-15-8-4-3-7-14(15)13-16(17)21-12-6-10-19-2/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeySWRDZKAZVMCGJT-UHFFFAOYSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
CID 103403216
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CID 166658063
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
benzyl 2-[2-(3-bromopropoxy)phenyl]acetate
CID 22417251
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
4-(2-ethylphenoxy)butanamide
CID 82040636

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate?
The IUPAC name of 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate (CID 58005998) is 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate.
What is the SMILES notation for 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate?
The canonical SMILES for 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate is COCCCOC(=O)Cc1ccccc1OCCCOC.
What is the InChIKey of 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate?
The InChIKey is SWRDZKAZVMCGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-18-9-5-11-20-15-8-4-3-7-14(15)13-16(17)21-12-6-10-19-2/h3-4,7-8H,5-6,9-13H2,1-2H3.
What are the key properties of 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate?
3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate has a molecular weight of 296.36 g/mol, XLogP of 2.22, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate is sourced from PubChem (CID 58005998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).