3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol

C22H23O2P — CID 139228235

IUPAC3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
SMILESCOC(O)CC(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2P/c1-24-22(23)17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-23H,17H2,1H3
InChIKeyDIPPJGACTQRCAT-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.22
Rot. Bonds7

About 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol

3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol (PubChem CID 139228235) has the molecular formula C22H23O2P and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
PubChem CID139228235
Molecular FormulaC22H23O2P
Molecular Weight350.40 g/mol
Exact Mass350.14
IUPAC Name3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
SMILESCOC(O)CC(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23O2P/c1-24-22(23)17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-23H,17H2,1H3
InChIKeyDIPPJGACTQRCAT-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
CID 101382224
3-diphenylphosphanyl-3-phenylpropanoic acid
CID 11759426
[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967
benzyl (3S)-3-diphenylphosphanyl-3-phenylpropanoate
CID 101153060
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
CID 139228240
1-methoxy-1-phenylbutan-2-ol
CID 116756893
bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
CID 11967242
(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane
CID 88654303
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol?
The IUPAC name of 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol (CID 139228235) is 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol.
What is the SMILES notation for 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol?
The canonical SMILES for 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol is COC(O)CC(c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol?
The InChIKey is DIPPJGACTQRCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2P/c1-24-22(23)17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-23H,17H2,1H3.
What are the key properties of 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol?
3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol has a molecular weight of 350.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol is sourced from PubChem (CID 139228235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).