1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol

C19H23O2PS — CID 100995519

IUPAC1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol
SMILESCSC(C1(O)CCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O2PS/c1-23-18(19(20)14-8-9-15-19)22(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18,20H,8-9,14-15H2,1H3
InChIKeyRDEFOQZQEBIKRZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.99
Rot. Bonds5

About 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol

1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol (PubChem CID 100995519) has the molecular formula C19H23O2PS and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol
PubChem CID100995519
Molecular FormulaC19H23O2PS
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol
SMILESCSC(C1(O)CCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O2PS/c1-23-18(19(20)14-8-9-15-19)22(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18,20H,8-9,14-15H2,1H3
InChIKeyRDEFOQZQEBIKRZ-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol (CID 100995519) is 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol is CSC(C1(O)CCCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol?
The InChIKey is RDEFOQZQEBIKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2PS/c1-23-18(19(20)14-8-9-15-19)22(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18,20H,8-9,14-15H2,1H3.
What are the key properties of 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol?
1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol has a molecular weight of 346.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 100995519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).