[2-(2-butylphenyl)phenyl] acetate

C18H20O2 — CID 68813742

IUPAC[2-(2-butylphenyl)phenyl] acetate
SMILESCCCCc1ccccc1-c1ccccc1OC(C)=O
InChIInChI=1S/C18H20O2/c1-3-4-9-15-10-5-6-11-16(15)17-12-7-8-13-18(17)20-14(2)19/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyGCIXHYVZEVPRFX-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.62
Rot. Bonds5

About [2-(2-butylphenyl)phenyl] acetate

[2-(2-butylphenyl)phenyl] acetate (PubChem CID 68813742) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-(2-butylphenyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-butylphenyl)phenyl] acetate
PubChem CID68813742
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name[2-(2-butylphenyl)phenyl] acetate
SMILESCCCCc1ccccc1-c1ccccc1OC(C)=O
InChIInChI=1S/C18H20O2/c1-3-4-9-15-10-5-6-11-16(15)17-12-7-8-13-18(17)20-14(2)19/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyGCIXHYVZEVPRFX-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyloxy-3-dodecylphenyl) acetate
CID 140675695
(2,3-dibutylphenyl) [2-[2-(2-methylpropyl)phenyl]phenyl] carbonate
CID 69334519
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
[2-[5-[5-(2-acetyloxyphenyl)pentylsulfanyl]pentyl]phenyl] acetate
CID 54261792
(2-butylphenyl) 3-oxobutanoate
CID 118629065
dodecylbenzene;(2-ethylphenyl) acetate
CID 19987880
[5-(2-butylphenyl)-2,3,4-tripropylphenyl] hydrogen carbonate
CID 87300386
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
(2-pentylphenyl) hydrogen carbonate
CID 66866102
(2-butylphenyl) heptanoate
CID 174752074
[2-(2,2-dimethylpropyl)phenyl] acetate
CID 167209036

Frequently Asked Questions

What is the IUPAC name of [2-(2-butylphenyl)phenyl] acetate?
The IUPAC name of [2-(2-butylphenyl)phenyl] acetate (CID 68813742) is [2-(2-butylphenyl)phenyl] acetate.
What is the SMILES notation for [2-(2-butylphenyl)phenyl] acetate?
The canonical SMILES for [2-(2-butylphenyl)phenyl] acetate is CCCCc1ccccc1-c1ccccc1OC(C)=O.
What is the InChIKey of [2-(2-butylphenyl)phenyl] acetate?
The InChIKey is GCIXHYVZEVPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-4-9-15-10-5-6-11-16(15)17-12-7-8-13-18(17)20-14(2)19/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of [2-(2-butylphenyl)phenyl] acetate?
[2-(2-butylphenyl)phenyl] acetate has a molecular weight of 268.36 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butylphenyl)phenyl] acetate is sourced from PubChem (CID 68813742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).