5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid

C13H18O3 — CID 79419105

IUPAC5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
SMILESCc1ccc(CC(CCCO)C(=O)O)cc1
InChIInChI=1S/C13H18O3/c1-10-4-6-11(7-5-10)9-12(13(15)16)3-2-8-14/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyOYSIEMQBHNRXHP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.01
Rot. Bonds6

About 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid

5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid (PubChem CID 79419105) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
PubChem CID79419105
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
SMILESCc1ccc(CC(CCCO)C(=O)O)cc1
InChIInChI=1S/C13H18O3/c1-10-4-6-11(7-5-10)9-12(13(15)16)3-2-8-14/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyOYSIEMQBHNRXHP-UHFFFAOYSA-N
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 54935563
2-[(4-methylphenyl)methyl]hex-5-ynoic acid
CID 79419258
2-(iodomethyl)-3-(4-methylphenyl)propanoic acid
CID 11779777
4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
CID 63401940
2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
CID 79418299
(2S)-2-(acetylsulfanylmethyl)-3-(4-methylphenyl)propanoic acid
CID 129362856
6,6-dimethyl-2-[(4-methylphenyl)methyl]hept-4-ynoic acid
CID 114190057
2-ethyl-7-(4-methylphenyl)heptanoic acid
CID 67371360
2-[(4-methylphenyl)methyl]-3-pyrimidin-2-ylpropanoic acid
CID 79418377
[1-carboxy-2-(4-methylphenyl)ethyl]azanium
CID 59236931
2-benzyldodecanoic acid
CID 14250629
2-[(3-methylbut-2-enoylamino)methyl]-3-(4-methylphenyl)propanoic acid
CID 75495627

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid?
The IUPAC name of 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid (CID 79419105) is 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid.
What is the SMILES notation for 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid?
The canonical SMILES for 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid is Cc1ccc(CC(CCCO)C(=O)O)cc1.
What is the InChIKey of 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid?
The InChIKey is OYSIEMQBHNRXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-4-6-11(7-5-10)9-12(13(15)16)3-2-8-14/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid?
5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 79419105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).