(2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide

C17H26OP2 — CID 143967447

IUPAC(2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide
SMILESC[C@@H]1CCCP1c1ccccc1P1(=O)[C@H](C)CC[C@H]1C
InChIInChI=1S/C17H26OP2/c1-13-7-6-12-19(13)16-8-4-5-9-17(16)20(18)14(2)10-11-15(20)3/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3/t13-,14-,15-,19?/m1/s1
InChIKeyZBRCCNWQFZMHIR-WUBGPZIOSA-N
MW308.34 g/mol
LogP4.54
Rot. Bonds2

About (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide

(2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide (PubChem CID 143967447) has the molecular formula C17H26OP2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide
PubChem CID143967447
Molecular FormulaC17H26OP2
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide
SMILESC[C@@H]1CCCP1c1ccccc1P1(=O)[C@H](C)CC[C@H]1C
InChIInChI=1S/C17H26OP2/c1-13-7-6-12-19(13)16-8-4-5-9-17(16)20(18)14(2)10-11-15(20)3/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3/t13-,14-,15-,19?/m1/s1
InChIKeyZBRCCNWQFZMHIR-WUBGPZIOSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide?
The IUPAC name of (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide (CID 143967447) is (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide?
The canonical SMILES for (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide is C[C@@H]1CCCP1c1ccccc1P1(=O)[C@H](C)CC[C@H]1C.
What is the InChIKey of (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide?
The InChIKey is ZBRCCNWQFZMHIR-WUBGPZIOSA-N. The full InChI is InChI=1S/C17H26OP2/c1-13-7-6-12-19(13)16-8-4-5-9-17(16)20(18)14(2)10-11-15(20)3/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3/t13-,14-,15-,19?/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide?
(2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide has a molecular weight of 308.34 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-1-[2-[(2R)-2-methylphospholan-1-yl]phenyl]-1λ5-phospholane 1-oxide is sourced from PubChem (CID 143967447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).