(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol

C22H23O3P — CID 13152614

IUPAC(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)[C@H](C)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-17(22(23)18-13-15-19(25-2)16-14-18)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,22-23H,1-2H3/t17-,22+/m0/s1
InChIKeyISLFCRLVRYFWSB-HTAPYJJXSA-N
MW366.40 g/mol
LogP4.13
Rot. Bonds6

About (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol

(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 13152614) has the molecular formula C22H23O3P and a molecular weight of 366.40 g/mol. Its IUPAC name is (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
PubChem CID13152614
Molecular FormulaC22H23O3P
Molecular Weight366.40 g/mol
Exact Mass366.14
IUPAC Name(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)[C@H](C)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-17(22(23)18-13-15-19(25-2)16-14-18)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,22-23H,1-2H3/t17-,22+/m0/s1
InChIKeyISLFCRLVRYFWSB-HTAPYJJXSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-diphenylphosphoryl-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-ol
CID 13203120
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
(1S,2R,4R)-2-diphenylphosphoryl-1-(4-methoxyphenyl)octane-1,4-diol
CID 10623509
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
CID 13203114
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 101399397
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
CID 101193123
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol (CID 13152614) is (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol is COc1ccc([C@H](O)[C@H](C)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is ISLFCRLVRYFWSB-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H23O3P/c1-17(22(23)18-13-15-19(25-2)16-14-18)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,22-23H,1-2H3/t17-,22+/m0/s1.
What are the key properties of (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol?
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 366.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 13152614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).