5-hydroxy-5-(4-propylphenyl)pentanoic acid

C14H20O3 — CID 43117855

IUPAC5-hydroxy-5-(4-propylphenyl)pentanoic acid
SMILESCCCc1ccc(C(O)CCCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-2-4-11-7-9-12(10-8-11)13(15)5-3-6-14(16)17/h7-10,13,15H,2-6H2,1H3,(H,16,17)
InChIKeyUJIBZBPSXSFIIT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.93
Rot. Bonds7

About 5-hydroxy-5-(4-propylphenyl)pentanoic acid

5-hydroxy-5-(4-propylphenyl)pentanoic acid (PubChem CID 43117855) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-hydroxy-5-(4-propylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-5-(4-propylphenyl)pentanoic acid
PubChem CID43117855
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name5-hydroxy-5-(4-propylphenyl)pentanoic acid
SMILESCCCc1ccc(C(O)CCCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-2-4-11-7-9-12(10-8-11)13(15)5-3-6-14(16)17/h7-10,13,15H,2-6H2,1H3,(H,16,17)
InChIKeyUJIBZBPSXSFIIT-UHFFFAOYSA-N
XLogP2.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
CID 28931398
3-[4-(1-hydroxypropyl)phenyl]propanoic acid
CID 105461698
1-(4-butylphenyl)butan-1-ol
CID 61088483
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
3-[4-(4-carboxybutyl)phenyl]hexanoic acid
CID 139936644
(2S)-2-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70074227
5-(4-formylphenyl)-5-hydroxypentanoic acid
CID 87602179
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-(4-nonylphenyl)octanedioic acid
CID 139433835
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(4-propylphenyl)pentanoic acid?
The IUPAC name of 5-hydroxy-5-(4-propylphenyl)pentanoic acid (CID 43117855) is 5-hydroxy-5-(4-propylphenyl)pentanoic acid.
What is the SMILES notation for 5-hydroxy-5-(4-propylphenyl)pentanoic acid?
The canonical SMILES for 5-hydroxy-5-(4-propylphenyl)pentanoic acid is CCCc1ccc(C(O)CCCC(=O)O)cc1.
What is the InChIKey of 5-hydroxy-5-(4-propylphenyl)pentanoic acid?
The InChIKey is UJIBZBPSXSFIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-4-11-7-9-12(10-8-11)13(15)5-3-6-14(16)17/h7-10,13,15H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-hydroxy-5-(4-propylphenyl)pentanoic acid?
5-hydroxy-5-(4-propylphenyl)pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(4-propylphenyl)pentanoic acid is sourced from PubChem (CID 43117855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).