propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate

C15H22O3 — CID 22644094

IUPACpropyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate
SMILESCCCOC(=O)CCc1cccc(C(C)C)c1O
InChIInChI=1S/C15H22O3/c1-4-10-18-14(16)9-8-12-6-5-7-13(11(2)3)15(12)17/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyUEABMXQBDDHJOH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.40
Rot. Bonds6

About propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate

propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate (PubChem CID 22644094) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Namepropyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate
PubChem CID22644094
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namepropyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate
SMILESCCCOC(=O)CCc1cccc(C(C)C)c1O
InChIInChI=1S/C15H22O3/c1-4-10-18-14(16)9-8-12-6-5-7-13(11(2)3)15(12)17/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyUEABMXQBDDHJOH-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-(3-butyl-2-hydroxyphenyl)propanoate
CID 22644112
2-methylpropyl 3-(3-fluoro-2-hydroxyphenyl)propanoate
CID 167520753
bis[2-(2,3-dihydroxyphenyl)ethyl] butanedioate
CID 174992498
2-[(1S)-1-aminoethyl]-6-propylphenol
CID 130625361
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
2-methylpropyl 3-[2-[3-(2-methylpropoxy)-3-oxopropyl]phenyl]propanoate
CID 146794559
2-[2-amino-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118825025
propyl 3-(3,5-dimethylphenyl)propanoate
CID 173270360
propyl 4-(2,3-difluorophenyl)-4-hydroxybutanoate
CID 63668218
butyl 3-[2-(methoxymethyl)phenyl]propanoate
CID 101190303
10-O-(2-ethylphenyl) 1-O-propyl decanedioate
CID 91711670
[3-[3-(3-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxy]-2,2-bis[3-(3-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxymethyl]propyl] 3-(3-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 20544399

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate?
The IUPAC name of propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate (CID 22644094) is propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate.
What is the SMILES notation for propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate?
The canonical SMILES for propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate is CCCOC(=O)CCc1cccc(C(C)C)c1O.
What is the InChIKey of propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate?
The InChIKey is UEABMXQBDDHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-10-18-14(16)9-8-12-6-5-7-13(11(2)3)15(12)17/h5-7,11,17H,4,8-10H2,1-3H3.
What are the key properties of propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate?
propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 22644094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).