1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol

C17H25ClO — CID 143942234

IUPAC1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccc([C@@H]2CCC[C@@H]2Cl)cc1
InChIInChI=1S/C17H25ClO/c1-2-3-4-8-17(19)14-11-9-13(10-12-14)15-6-5-7-16(15)18/h9-12,15-17,19H,2-8H2,1H3/t15-,16-,17?/m0/s1
InChIKeyJISPWTZEJDVWNA-PYNWJHIZSA-N
MW280.84 g/mol
LogP5.18
Rot. Bonds6

About 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol

1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol (PubChem CID 143942234) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol
PubChem CID143942234
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccc([C@@H]2CCC[C@@H]2Cl)cc1
InChIInChI=1S/C17H25ClO/c1-2-3-4-8-17(19)14-11-9-13(10-12-14)15-6-5-7-16(15)18/h9-12,15-17,19H,2-8H2,1H3/t15-,16-,17?/m0/s1
InChIKeyJISPWTZEJDVWNA-PYNWJHIZSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol?
The IUPAC name of 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol (CID 143942234) is 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol.
What is the SMILES notation for 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol?
The canonical SMILES for 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol is CCCCCC(O)c1ccc([C@@H]2CCC[C@@H]2Cl)cc1.
What is the InChIKey of 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol?
The InChIKey is JISPWTZEJDVWNA-PYNWJHIZSA-N. The full InChI is InChI=1S/C17H25ClO/c1-2-3-4-8-17(19)14-11-9-13(10-12-14)15-6-5-7-16(15)18/h9-12,15-17,19H,2-8H2,1H3/t15-,16-,17?/m0/s1.
What are the key properties of 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol?
1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol has a molecular weight of 280.84 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol is sourced from PubChem (CID 143942234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).