5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol

C18H27FO4S — CID 58218188

IUPAC5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol
SMILESC[C@@H](CS(=O)(=O)CCCCCO)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C18H27FO4S/c1-14(13-24(21,22)10-4-2-3-9-20)16-7-8-17(19)18(11-16)23-12-15-5-6-15/h7-8,11,14-15,20H,2-6,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyUACPMXVTSGVFJC-AWEZNQCLSA-N
MW358.48 g/mol
LogP3.30
Rot. Bonds11

About 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol

5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol (PubChem CID 58218188) has the molecular formula C18H27FO4S and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol.

Molecular Properties

Compound Name5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol
PubChem CID58218188
Molecular FormulaC18H27FO4S
Molecular Weight358.48 g/mol
Exact Mass358.16
IUPAC Name5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol
SMILESC[C@@H](CS(=O)(=O)CCCCCO)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C18H27FO4S/c1-14(13-24(21,22)10-4-2-3-9-20)16-7-8-17(19)18(11-16)23-12-15-5-6-15/h7-8,11,14-15,20H,2-6,9-10,12-13H2,1H3/t14-/m0/s1
InChIKeyUACPMXVTSGVFJC-AWEZNQCLSA-N
XLogP3.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol?
The IUPAC name of 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol (CID 58218188) is 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol.
What is the SMILES notation for 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol?
The canonical SMILES for 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol is C[C@@H](CS(=O)(=O)CCCCCO)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol?
The InChIKey is UACPMXVTSGVFJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27FO4S/c1-14(13-24(21,22)10-4-2-3-9-20)16-7-8-17(19)18(11-16)23-12-15-5-6-15/h7-8,11,14-15,20H,2-6,9-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol?
5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol has a molecular weight of 358.48 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol is sourced from PubChem (CID 58218188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).