(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol

C17H27ClOS — CID 141316963

IUPAC(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
SMILESCCCCC[C@@H]1[C@@H](CCCc2cccs2)[C@H](Cl)C[C@H]1O
InChIInChI=1S/C17H27ClOS/c1-2-3-4-9-15-14(16(18)12-17(15)19)10-5-7-13-8-6-11-20-13/h6,8,11,14-17,19H,2-5,7,9-10,12H2,1H3/t14-,15-,16-,17-/m1/s1
InChIKeyUZELDURIKDYHLX-QBPKDAKJSA-N
MW314.92 g/mol
LogP5.26
Rot. Bonds8

About (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol

(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol (PubChem CID 141316963) has the molecular formula C17H27ClOS and a molecular weight of 314.92 g/mol. Its IUPAC name is (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
PubChem CID141316963
Molecular FormulaC17H27ClOS
Molecular Weight314.92 g/mol
Exact Mass314.15
IUPAC Name(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
SMILESCCCCC[C@@H]1[C@@H](CCCc2cccs2)[C@H](Cl)C[C@H]1O
InChIInChI=1S/C17H27ClOS/c1-2-3-4-9-15-14(16(18)12-17(15)19)10-5-7-13-8-6-11-20-13/h6,8,11,14-17,19H,2-5,7,9-10,12H2,1H3/t14-,15-,16-,17-/m1/s1
InChIKeyUZELDURIKDYHLX-QBPKDAKJSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.92
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol with MolForge

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Related Compounds

(1R,2R,3R,4R)-4-chloro-2-hexyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
CID 141316966
(1R,2S,3R,4R)-4-chloro-2-[(3,5-dichloroanilino)methyl]-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
CID 58358352
5-[3-[(1R,3R)-5-chloro-3-hydroxy-2-nonylcyclopentyl]propyl]thiophene-2-carboxylic acid
CID 89187647
ethane;2-pentylthiophene
CID 143883800
methane;2-undecylthiophene
CID 175504380
2-butylthiophene;methanamine
CID 143080300
pentane;2-thiophen-2-ylethanol
CID 70273807
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol
CID 143902617
propan-2-yl 5-[3-[(1R,3R)-5-chloro-3-hydroxy-2-octylcyclopentyl]propyl]-2,3-dihydrothiophene-2-carboxylate
CID 89190435
2-(5-pentoxypentyl)thiophene
CID 91586139
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol (CID 141316963) is (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol is CCCCC[C@@H]1[C@@H](CCCc2cccs2)[C@H](Cl)C[C@H]1O.
What is the InChIKey of (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol?
The InChIKey is UZELDURIKDYHLX-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H27ClOS/c1-2-3-4-9-15-14(16(18)12-17(15)19)10-5-7-13-8-6-11-20-13/h6,8,11,14-17,19H,2-5,7,9-10,12H2,1H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol?
(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol has a molecular weight of 314.92 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol is sourced from PubChem (CID 141316963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).