2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid

C16H22O3 — CID 79421580

IUPAC2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
SMILESCc1ccccc1C(CCCC1CCCO1)C(=O)O
InChIInChI=1S/C16H22O3/c1-12-6-2-3-9-14(12)15(16(17)18)10-4-7-13-8-5-11-19-13/h2-3,6,9,13,15H,4-5,7-8,10-11H2,1H3,(H,17,18)
InChIKeyDOJVEYLVMXMHFO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid

2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid (PubChem CID 79421580) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
PubChem CID79421580
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
SMILESCc1ccccc1C(CCCC1CCCO1)C(=O)O
InChIInChI=1S/C16H22O3/c1-12-6-2-3-9-14(12)15(16(17)18)10-4-7-13-8-5-11-19-13/h2-3,6,9,13,15H,4-5,7-8,10-11H2,1H3,(H,17,18)
InChIKeyDOJVEYLVMXMHFO-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
2-(3-methylphenyl)-4-(oxolan-2-yl)butanoic acid
CID 79436331
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid?
The IUPAC name of 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid (CID 79421580) is 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid.
What is the SMILES notation for 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid?
The canonical SMILES for 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid is Cc1ccccc1C(CCCC1CCCO1)C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid?
The InChIKey is DOJVEYLVMXMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-6-2-3-9-14(12)15(16(17)18)10-4-7-13-8-5-11-19-13/h2-3,6,9,13,15H,4-5,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid?
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid is sourced from PubChem (CID 79421580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).