7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid

C24H38O4 — CID 24758344

IUPAC7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid
SMILESCCCCCC(O)c1ccc(C2CCC(O)C2CCCCCCC(=O)O)cc1
InChIInChI=1S/C24H38O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-23,25-26H,2-11,16-17H2,1H3,(H,27,28)
InChIKeyCFXJLWYBOHTMDR-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.58
Rot. Bonds13

About 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid

7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid (PubChem CID 24758344) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid
PubChem CID24758344
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid
SMILESCCCCCC(O)c1ccc(C2CCC(O)C2CCCCCCC(=O)O)cc1
InChIInChI=1S/C24H38O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-23,25-26H,2-11,16-17H2,1H3,(H,27,28)
InChIKeyCFXJLWYBOHTMDR-UHFFFAOYSA-N
XLogP5.58
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]heptanoic acid
CID 59794660
5-[(3R,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]pentanoic acid
CID 89148440
5-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]pentanoic acid
CID 89148457
7-[(1R,2S)-2-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxocyclopentyl]heptanoic acid;sulfane
CID 159817119
2-[(Z)-4-[2-hydroxy-5-[4-(1-hydroxyheptyl)phenyl]cyclopentyl]but-2-enyl]sulfanylacetic acid
CID 71163295
7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid
CID 129084210
cis-(2R,3S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2-(7-oxooctyl)cyclopentan-1-one
CID 59668228
(Z)-8-[2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]oct-5-enoic acid
CID 70865884
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
5-[3-[(1R,5S)-2-chloro-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
CID 129084305
7-[5-chloro-2-[4-(3-cyclohexyl-1-hydroxypropyl)phenyl]-3-hydroxycyclopentyl]heptanoic acid
CID 76579762
7-[(1R,2S,5R)-5-chloro-2-[4-(3-cyclohexyl-1-hydroxypropyl)phenyl]-3-hydroxycyclopentyl]heptanoic acid
CID 58894597

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid?
The IUPAC name of 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid (CID 24758344) is 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid is CCCCCC(O)c1ccc(C2CCC(O)C2CCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid?
The InChIKey is CFXJLWYBOHTMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-23,25-26H,2-11,16-17H2,1H3,(H,27,28).
What are the key properties of 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid?
7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid has a molecular weight of 390.56 g/mol, XLogP of 5.58, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid is sourced from PubChem (CID 24758344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).