(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid

C15H22O3 — CID 28931398

IUPAC(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
SMILESCCCCc1ccc([C@H](O)CCCC(=O)O)cc1
InChIInChI=1S/C15H22O3/c1-2-3-5-12-8-10-13(11-9-12)14(16)6-4-7-15(17)18/h8-11,14,16H,2-7H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyCEMJLFPSSJYDTK-CQSZACIVSA-N
MW250.34 g/mol
LogP3.32
Rot. Bonds8

About (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid

(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid (PubChem CID 28931398) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
PubChem CID28931398
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
SMILESCCCCc1ccc([C@H](O)CCCC(=O)O)cc1
InChIInChI=1S/C15H22O3/c1-2-3-5-12-8-10-13(11-9-12)14(16)6-4-7-15(17)18/h8-11,14,16H,2-7H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyCEMJLFPSSJYDTK-CQSZACIVSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
1-(4-butylphenyl)butan-1-ol
CID 61088483
2-(4-nonylphenyl)octanedioic acid
CID 139433835
2-bromo-2-(4-butylphenyl)acetic acid
CID 122539824
3-[4-(1-hydroxypropyl)phenyl]propanoic acid
CID 105461698
3-[4-(4-carboxybutyl)phenyl]hexanoic acid
CID 139936644
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
5-(4-formylphenyl)-5-hydroxypentanoic acid
CID 87602179
4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid
CID 57275186
4-[4-[1,2-dihydroxy-4-(methylamino)butyl]phenyl]butanoic acid
CID 171891079
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
CID 19892138

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid?
The IUPAC name of (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid (CID 28931398) is (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid?
The canonical SMILES for (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid is CCCCc1ccc([C@H](O)CCCC(=O)O)cc1.
What is the InChIKey of (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid?
The InChIKey is CEMJLFPSSJYDTK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-5-12-8-10-13(11-9-12)14(16)6-4-7-15(17)18/h8-11,14,16H,2-7H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid?
(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 28931398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).