7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid

C19H27ClO4 — CID 67528478

IUPAC7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1C(COc2ccccc2)C(O)C[C@H]1Cl
InChIInChI=1S/C19H27ClO4/c20-17-12-18(21)16(13-24-14-8-4-3-5-9-14)15(17)10-6-1-2-7-11-19(22)23/h3-5,8-9,15-18,21H,1-2,6-7,10-13H2,(H,22,23)/t15-,16?,17-,18?/m1/s1
InChIKeySUNPIUXQRKINCL-RZZCCWGQSA-N
MW354.87 g/mol
LogP4.09
Rot. Bonds10

About 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid

7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid (PubChem CID 67528478) has the molecular formula C19H27ClO4 and a molecular weight of 354.87 g/mol. Its IUPAC name is 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid
PubChem CID67528478
Molecular FormulaC19H27ClO4
Molecular Weight354.87 g/mol
Exact Mass354.16
IUPAC Name7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1C(COc2ccccc2)C(O)C[C@H]1Cl
InChIInChI=1S/C19H27ClO4/c20-17-12-18(21)16(13-24-14-8-4-3-5-9-14)15(17)10-6-1-2-7-11-19(22)23/h3-5,8-9,15-18,21H,1-2,6-7,10-13H2,(H,22,23)/t15-,16?,17-,18?/m1/s1
InChIKeySUNPIUXQRKINCL-RZZCCWGQSA-N
XLogP4.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.87
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(hydroxymethyl)cyclopentyl]heptanoic acid
CID 58378741
cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol
CID 143902617
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527965
(Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[(3-hydroxyphenoxy)methyl]cyclopentyl]hept-5-enoic acid
CID 24983623
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[3-(hydroxymethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527463
(Z)-7-[(1R,2S,3R,5S)-5-chloro-3-hydroxy-2-[[3-(2-hydroxyethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527064
(Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[3-(1-hydroxy-2-methylpropyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 24996124
9-phenoxynonanoic acid
CID 15887638
7-[(3R,4S)-4-(phenoxymethyl)oxepan-3-yl]heptanoic acid
CID 143261528
(Z)-7-[(1R,2S,3R,5S)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67527560
7-[(3R,4S)-4-(2-phenoxyethyl)oxolan-3-yl]heptanoic acid
CID 70399750
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[[2-(2-hydroxyethyl)phenoxy]methyl]cyclopentyl]hept-5-enoic acid
CID 67527448

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid (CID 67528478) is 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid is O=C(O)CCCCCC[C@@H]1C(COc2ccccc2)C(O)C[C@H]1Cl.
What is the InChIKey of 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid?
The InChIKey is SUNPIUXQRKINCL-RZZCCWGQSA-N. The full InChI is InChI=1S/C19H27ClO4/c20-17-12-18(21)16(13-24-14-8-4-3-5-9-14)15(17)10-6-1-2-7-11-19(22)23/h3-5,8-9,15-18,21H,1-2,6-7,10-13H2,(H,22,23)/t15-,16?,17-,18?/m1/s1.
What are the key properties of 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid?
7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid has a molecular weight of 354.87 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 67528478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).