diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane

C22H27P — CID 46184537

IUPACdiphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27P/c1-21(2)17-14-15-22(3,16-17)20(21)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3/t17-,20-,22+/m0/s1
InChIKeyBCGHFWMLSHFCPO-RBDMOPTHSA-N
MW322.43 g/mol
LogP5.33
Rot. Bonds3

About diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane

diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane (PubChem CID 46184537) has the molecular formula C22H27P and a molecular weight of 322.43 g/mol. Its IUPAC name is diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
PubChem CID46184537
Molecular FormulaC22H27P
Molecular Weight322.43 g/mol
Exact Mass322.19
IUPAC Namediphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27P/c1-21(2)17-14-15-22(3,16-17)20(21)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3/t17-,20-,22+/m0/s1
InChIKeyBCGHFWMLSHFCPO-RBDMOPTHSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The IUPAC name of diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane (CID 46184537) is diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane.
What is the SMILES notation for diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The canonical SMILES for diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane is CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The InChIKey is BCGHFWMLSHFCPO-RBDMOPTHSA-N. The full InChI is InChI=1S/C22H27P/c1-21(2)17-14-15-22(3,16-17)20(21)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3/t17-,20-,22+/m0/s1.
What are the key properties of diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane has a molecular weight of 322.43 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane is sourced from PubChem (CID 46184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).