cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol

C29H33O2P — CID 10789457

IUPACcyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol
SMILESO=[P@@]1(c2ccccc2)[C@H](c2ccccc2)CC[C@@]1(c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C29H33O2P/c30-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)22-21-27(23-13-5-1-6-14-23)32(29,31)26-19-11-4-12-20-26/h1,3-6,9-14,17-20,24,27-28,30H,2,7-8,15-16,21-22H2/t27-,28?,29+,32-/m0/s1
InChIKeyHTPJDNFFIYUAAM-MXWRHRCOSA-N
MW444.55 g/mol
LogP7.05
Rot. Bonds5

About cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol

cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol (PubChem CID 10789457) has the molecular formula C29H33O2P and a molecular weight of 444.55 g/mol. Its IUPAC name is cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol
PubChem CID10789457
Molecular FormulaC29H33O2P
Molecular Weight444.55 g/mol
Exact Mass444.22
IUPAC Namecyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol
SMILESO=[P@@]1(c2ccccc2)[C@H](c2ccccc2)CC[C@@]1(c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C29H33O2P/c30-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)22-21-27(23-13-5-1-6-14-23)32(29,31)26-19-11-4-12-20-26/h1,3-6,9-14,17-20,24,27-28,30H,2,7-8,15-16,21-22H2/t27-,28?,29+,32-/m0/s1
InChIKeyHTPJDNFFIYUAAM-MXWRHRCOSA-N
XLogP7.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol?
The IUPAC name of cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol (CID 10789457) is cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol.
What is the SMILES notation for cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol?
The canonical SMILES for cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol is O=[P@@]1(c2ccccc2)[C@H](c2ccccc2)CC[C@@]1(c1ccccc1)C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol?
The InChIKey is HTPJDNFFIYUAAM-MXWRHRCOSA-N. The full InChI is InChI=1S/C29H33O2P/c30-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)22-21-27(23-13-5-1-6-14-23)32(29,31)26-19-11-4-12-20-26/h1,3-6,9-14,17-20,24,27-28,30H,2,7-8,15-16,21-22H2/t27-,28?,29+,32-/m0/s1.
What are the key properties of cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol?
cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol has a molecular weight of 444.55 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(1R,2R,5S)-1-oxo-1,2,5-triphenyl-1λ5-phospholan-2-yl]methanol is sourced from PubChem (CID 10789457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).