2-(2-hydroxy-4-methylphenyl)propyl benzoate

C17H18O3 — CID 132501075

IUPAC2-(2-hydroxy-4-methylphenyl)propyl benzoate
SMILESCc1ccc(C(C)COC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H18O3/c1-12-8-9-15(16(18)10-12)13(2)11-20-17(19)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyBRYPYIJTRDAFHU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.66
Rot. Bonds4

About 2-(2-hydroxy-4-methylphenyl)propyl benzoate

2-(2-hydroxy-4-methylphenyl)propyl benzoate (PubChem CID 132501075) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methylphenyl)propyl benzoate.

Molecular Properties

Compound Name2-(2-hydroxy-4-methylphenyl)propyl benzoate
PubChem CID132501075
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(2-hydroxy-4-methylphenyl)propyl benzoate
SMILESCc1ccc(C(C)COC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H18O3/c1-12-8-9-15(16(18)10-12)13(2)11-20-17(19)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyBRYPYIJTRDAFHU-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-phenylpropyl 3,4,5-trihydroxybenzoate
CID 87719767
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
(2S,4R)-2-amino-5-benzoyloxy-3-(3,4-dihydroxyphenyl)-4-methylpentanoic acid
CID 67214137
tert-butyl 3-hydroxy-4-(4-oxo-4-phenylbutan-2-yl)benzoate
CID 146171470
2-(methylideneamino)propyl benzoate
CID 175865411
(2-hydroxy-2-propan-2-yloxyethyl) benzoate
CID 162371835
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methylphenyl)propyl benzoate?
The IUPAC name of 2-(2-hydroxy-4-methylphenyl)propyl benzoate (CID 132501075) is 2-(2-hydroxy-4-methylphenyl)propyl benzoate.
What is the SMILES notation for 2-(2-hydroxy-4-methylphenyl)propyl benzoate?
The canonical SMILES for 2-(2-hydroxy-4-methylphenyl)propyl benzoate is Cc1ccc(C(C)COC(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methylphenyl)propyl benzoate?
The InChIKey is BRYPYIJTRDAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-8-9-15(16(18)10-12)13(2)11-20-17(19)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 2-(2-hydroxy-4-methylphenyl)propyl benzoate?
2-(2-hydroxy-4-methylphenyl)propyl benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methylphenyl)propyl benzoate is sourced from PubChem (CID 132501075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).