decyl 2-[4-(4-methoxyphenyl)phenyl]acetate

C25H34O3 — CID 121329524

IUPACdecyl 2-[4-(4-methoxyphenyl)phenyl]acetate
SMILESCCCCCCCCCCOC(=O)Cc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H34O3/c1-3-4-5-6-7-8-9-10-19-28-25(26)20-21-11-13-22(14-12-21)23-15-17-24(27-2)18-16-23/h11-18H,3-10,19-20H2,1-2H3
InChIKeyWGYXMDJOUYVYRS-UHFFFAOYSA-N
MW382.54 g/mol
LogP6.59
Rot. Bonds13

About decyl 2-[4-(4-methoxyphenyl)phenyl]acetate

decyl 2-[4-(4-methoxyphenyl)phenyl]acetate (PubChem CID 121329524) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is decyl 2-[4-(4-methoxyphenyl)phenyl]acetate.

Molecular Properties

Compound Namedecyl 2-[4-(4-methoxyphenyl)phenyl]acetate
PubChem CID121329524
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Namedecyl 2-[4-(4-methoxyphenyl)phenyl]acetate
SMILESCCCCCCCCCCOC(=O)Cc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H34O3/c1-3-4-5-6-7-8-9-10-19-28-25(26)20-21-11-13-22(14-12-21)23-15-17-24(27-2)18-16-23/h11-18H,3-10,19-20H2,1-2H3
InChIKeyWGYXMDJOUYVYRS-UHFFFAOYSA-N
XLogP6.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.59
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

dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
decyl 2-(4-phenylphenyl)acetate
CID 121280824
decyl 2-[4-(4-propylphenyl)phenyl]acetate
CID 121329523
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
4-O-(4-methoxyphenyl) 1-O-nonyl butanedioate
CID 91712260
octyl 2-phenylacetate;oxophosphanium
CID 160645862
decyl 2-[4-(2-chlorophenyl)phenyl]acetate
CID 121325059
6-O-(4-methoxyphenyl) 1-O-octyl hexanedioate
CID 91712340
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
hexyl 2-[2-(4-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712216
octyl 2-[2-(4-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712140

Frequently Asked Questions

What is the IUPAC name of decyl 2-[4-(4-methoxyphenyl)phenyl]acetate?
The IUPAC name of decyl 2-[4-(4-methoxyphenyl)phenyl]acetate (CID 121329524) is decyl 2-[4-(4-methoxyphenyl)phenyl]acetate.
What is the SMILES notation for decyl 2-[4-(4-methoxyphenyl)phenyl]acetate?
The canonical SMILES for decyl 2-[4-(4-methoxyphenyl)phenyl]acetate is CCCCCCCCCCOC(=O)Cc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of decyl 2-[4-(4-methoxyphenyl)phenyl]acetate?
The InChIKey is WGYXMDJOUYVYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-3-4-5-6-7-8-9-10-19-28-25(26)20-21-11-13-22(14-12-21)23-15-17-24(27-2)18-16-23/h11-18H,3-10,19-20H2,1-2H3.
What are the key properties of decyl 2-[4-(4-methoxyphenyl)phenyl]acetate?
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate has a molecular weight of 382.54 g/mol, XLogP of 6.59, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[4-(4-methoxyphenyl)phenyl]acetate is sourced from PubChem (CID 121329524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).