4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid

C15H20O2 — CID 70297262

IUPAC4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid
SMILESCC=Cc1ccccc1CC(C)CCC(=O)O
InChIInChI=1S/C15H20O2/c1-3-6-13-7-4-5-8-14(13)11-12(2)9-10-15(16)17/h3-8,12H,9-11H2,1-2H3,(H,16,17)
InChIKeyCYRJGLZSNMRWPZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.76
Rot. Bonds6

About 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid

4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid (PubChem CID 70297262) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid
PubChem CID70297262
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid
SMILESCC=Cc1ccccc1CC(C)CCC(=O)O
InChIInChI=1S/C15H20O2/c1-3-6-13-7-4-5-8-14(13)11-12(2)9-10-15(16)17/h3-8,12H,9-11H2,1-2H3,(H,16,17)
InChIKeyCYRJGLZSNMRWPZ-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
4-methyl-5-phenylselanylpentanoic acid
CID 23379011
(4S)-4-methyl-5-phenylselanylpentanoic acid
CID 59962587
4-methyl-5-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 82009524
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
4-phenylhex-4-enoic acid
CID 67746450
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
(4S)-4-methyl-5-phenylsulfanylpentanoic acid
CID 154527066
1-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 158078399
3-[2-(2-methylbut-2-enyl)phenyl]-1-phenylprop-2-en-1-one
CID 174912534
benzoic acid;16-methylheptadecanoic acid
CID 70376477
4-(benzenecarbonothioylsulfanyl)pentanoic acid
CID 150724433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid?
The IUPAC name of 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid (CID 70297262) is 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid?
The canonical SMILES for 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid is CC=Cc1ccccc1CC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid?
The InChIKey is CYRJGLZSNMRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-6-13-7-4-5-8-14(13)11-12(2)9-10-15(16)17/h3-8,12H,9-11H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid?
4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid is sourced from PubChem (CID 70297262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).