(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid

C14H20O4 — CID 28945621

IUPAC(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
SMILESCC(C)Oc1ccc([C@@H](O)CCCC(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-10(2)18-12-8-6-11(7-9-12)13(15)4-3-5-14(16)17/h6-10,13,15H,3-5H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyUJHIPYHKEPLGQJ-ZDUSSCGKSA-N
MW252.31 g/mol
LogP2.76
Rot. Bonds7

About (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid

(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid (PubChem CID 28945621) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
PubChem CID28945621
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
SMILESCC(C)Oc1ccc([C@@H](O)CCCC(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-10(2)18-12-8-6-11(7-9-12)13(15)4-3-5-14(16)17/h6-10,13,15H,3-5H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyUJHIPYHKEPLGQJ-ZDUSSCGKSA-N
XLogP2.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]-propylamino]propanoic acid
CID 110830650
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
6-methyl-3-(4-propan-2-yloxyphenyl)heptanoic acid
CID 3360093
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
5-(4-formylphenyl)-5-hydroxypentanoic acid
CID 87602179
(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
CID 28931398
1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
CID 82073848
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid?
The IUPAC name of (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid (CID 28945621) is (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid.
What is the SMILES notation for (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid?
The canonical SMILES for (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid is CC(C)Oc1ccc([C@@H](O)CCCC(=O)O)cc1.
What is the InChIKey of (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid?
The InChIKey is UJHIPYHKEPLGQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(2)18-12-8-6-11(7-9-12)13(15)4-3-5-14(16)17/h6-10,13,15H,3-5H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid?
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid is sourced from PubChem (CID 28945621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).