[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate

C15H22O3 — CID 10264130

IUPAC[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
SMILESCC(=O)OCC(C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-11(2)9-13-5-7-14(8-6-13)15(4,17)10-18-12(3)16/h5-8,11,17H,9-10H2,1-4H3
InChIKeyDJDBXFMYOREIFC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.66
Rot. Bonds5

About [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate

[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate (PubChem CID 10264130) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
PubChem CID10264130
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
SMILESCC(=O)OCC(C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-11(2)9-13-5-7-14(8-6-13)15(4,17)10-18-12(3)16/h5-8,11,17H,9-10H2,1-4H3
InChIKeyDJDBXFMYOREIFC-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)-2-hydroxypropyl] acetate
CID 126832799
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
[(2R)-2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl] acetate
CID 11832292
[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
CID 118260411
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate?
The IUPAC name of [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate (CID 10264130) is [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate.
What is the SMILES notation for [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate?
The canonical SMILES for [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate is CC(=O)OCC(C)(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate?
The InChIKey is DJDBXFMYOREIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)9-13-5-7-14(8-6-13)15(4,17)10-18-12(3)16/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate?
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate has a molecular weight of 250.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate is sourced from PubChem (CID 10264130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).