1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol

C31H32O2P2 — CID 18172358

IUPAC1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol
SMILESCC1(C)C(O)(CP(c2ccccc2)c2ccccc2)C1(O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32O2P2/c1-29(2)30(32,23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)31(29,33)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,32-33H,23-24H2,1-2H3
InChIKeyQYHSKGUSFQQZAW-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.75
Rot. Bonds8

About 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol

1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol (PubChem CID 18172358) has the molecular formula C31H32O2P2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol
PubChem CID18172358
Molecular FormulaC31H32O2P2
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol
SMILESCC1(C)C(O)(CP(c2ccccc2)c2ccccc2)C1(O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32O2P2/c1-29(2)30(32,23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)31(29,33)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,32-33H,23-24H2,1-2H3
InChIKeyQYHSKGUSFQQZAW-UHFFFAOYSA-N
XLogP4.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
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 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol?
The IUPAC name of 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol (CID 18172358) is 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol.
What is the SMILES notation for 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol?
The canonical SMILES for 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol is CC1(C)C(O)(CP(c2ccccc2)c2ccccc2)C1(O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol?
The InChIKey is QYHSKGUSFQQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2P2/c1-29(2)30(32,23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)31(29,33)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,32-33H,23-24H2,1-2H3.
What are the key properties of 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol?
1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol has a molecular weight of 498.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol is sourced from PubChem (CID 18172358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).