octyl 2-(2-hydroxyphenyl)acetate

C16H24O3 — CID 174380401

IUPACoctyl 2-(2-hydroxyphenyl)acetate
SMILESCCCCCCCCOC(=O)Cc1ccccc1O
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-9-12-19-16(18)13-14-10-7-8-11-15(14)17/h7-8,10-11,17H,2-6,9,12-13H2,1H3
InChIKeyWIMCYGAZBRDVBG-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.84
Rot. Bonds9

About octyl 2-(2-hydroxyphenyl)acetate

octyl 2-(2-hydroxyphenyl)acetate (PubChem CID 174380401) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is octyl 2-(2-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameoctyl 2-(2-hydroxyphenyl)acetate
PubChem CID174380401
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nameoctyl 2-(2-hydroxyphenyl)acetate
SMILESCCCCCCCCOC(=O)Cc1ccccc1O
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-9-12-19-16(18)13-14-10-7-8-11-15(14)17/h7-8,10-11,17H,2-6,9,12-13H2,1H3
InChIKeyWIMCYGAZBRDVBG-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-(2-phenylphenyl)acetate
CID 54053058
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
octyl 2-phenylacetate;oxophosphanium
CID 160645862
octadec-9-enyl 2-(2-aminophenyl)acetate
CID 91022701
sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
CID 23623782
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
decyl 2-(4-phenylphenyl)acetate
CID 121280824
hexadecyl 2-[2,5-dihydroxy-4-(2-phenylpropan-2-yl)phenyl]acetate
CID 58625687
octadecyl 2-(3,4,5-trihydroxyphenyl)acetate
CID 155147439
icosyl 2-hydroxybenzoate
CID 19044963
hexacosyl 2-hydroxybenzoate
CID 19044965
hexyl 2-hydroxybenzoate
CID 22629

Frequently Asked Questions

What is the IUPAC name of octyl 2-(2-hydroxyphenyl)acetate?
The IUPAC name of octyl 2-(2-hydroxyphenyl)acetate (CID 174380401) is octyl 2-(2-hydroxyphenyl)acetate.
What is the SMILES notation for octyl 2-(2-hydroxyphenyl)acetate?
The canonical SMILES for octyl 2-(2-hydroxyphenyl)acetate is CCCCCCCCOC(=O)Cc1ccccc1O.
What is the InChIKey of octyl 2-(2-hydroxyphenyl)acetate?
The InChIKey is WIMCYGAZBRDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-3-4-5-6-9-12-19-16(18)13-14-10-7-8-11-15(14)17/h7-8,10-11,17H,2-6,9,12-13H2,1H3.
What are the key properties of octyl 2-(2-hydroxyphenyl)acetate?
octyl 2-(2-hydroxyphenyl)acetate has a molecular weight of 264.36 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-(2-hydroxyphenyl)acetate is sourced from PubChem (CID 174380401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).