[4-[(4-ethylphenyl)diazenyl]phenyl] acetate

C16H16N2O2 — CID 4188126

IUPAC[4-[(4-ethylphenyl)diazenyl]phenyl] acetate
SMILESCCc1ccc(/N=N/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-3-13-4-6-14(7-5-13)17-18-15-8-10-16(11-9-15)20-12(2)19/h4-11H,3H2,1-2H3/b18-17+
InChIKeyUUTFOJJEWSRABS-ISLYRVAYSA-N
MW268.32 g/mol
LogP4.59
Rot. Bonds4

About [4-[(4-ethylphenyl)diazenyl]phenyl] acetate

[4-[(4-ethylphenyl)diazenyl]phenyl] acetate (PubChem CID 4188126) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-[(4-ethylphenyl)diazenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-ethylphenyl)diazenyl]phenyl] acetate
PubChem CID4188126
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[4-[(4-ethylphenyl)diazenyl]phenyl] acetate
SMILESCCc1ccc(/N=N/c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-3-13-4-6-14(7-5-13)17-18-15-8-10-16(11-9-15)20-12(2)19/h4-11H,3H2,1-2H3/b18-17+
InChIKeyUUTFOJJEWSRABS-ISLYRVAYSA-N
XLogP4.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
(4-ethylphenyl) carbamate
CID 1269945
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
[4-[(4-icosylphenyl)diazenyl]phenyl] 4-pentylbenzoate
CID 102425089
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol
CID 162188158
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 129154972
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
(4-decylphenyl) acetate
CID 57064765

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenyl)diazenyl]phenyl] acetate?
The IUPAC name of [4-[(4-ethylphenyl)diazenyl]phenyl] acetate (CID 4188126) is [4-[(4-ethylphenyl)diazenyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-ethylphenyl)diazenyl]phenyl] acetate?
The canonical SMILES for [4-[(4-ethylphenyl)diazenyl]phenyl] acetate is CCc1ccc(/N=N/c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(4-ethylphenyl)diazenyl]phenyl] acetate?
The InChIKey is UUTFOJJEWSRABS-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-13-4-6-14(7-5-13)17-18-15-8-10-16(11-9-15)20-12(2)19/h4-11H,3H2,1-2H3/b18-17+.
What are the key properties of [4-[(4-ethylphenyl)diazenyl]phenyl] acetate?
[4-[(4-ethylphenyl)diazenyl]phenyl] acetate has a molecular weight of 268.32 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylphenyl)diazenyl]phenyl] acetate is sourced from PubChem (CID 4188126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).