1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene

C21H21O3P — CID 102079246

IUPAC1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
SMILESCOc1ccc([C@@H](C)OP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21O3P/c1-17(18-13-15-19(23-2)16-14-18)24-25(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3/t17-/m1/s1
InChIKeyLMMJUETXRRTNNI-QGZVFWFLSA-N
MW352.37 g/mol
LogP4.70
Rot. Bonds6

About 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene

1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene (PubChem CID 102079246) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
PubChem CID102079246
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
SMILESCOc1ccc([C@@H](C)OP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21O3P/c1-17(18-13-15-19(23-2)16-14-18)24-25(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3/t17-/m1/s1
InChIKeyLMMJUETXRRTNNI-QGZVFWFLSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
[5-diphenylphosphoryloxyheptan-3-yloxy(phenyl)phosphoryl]benzene
CID 90416942
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390
[(4-diphenylphosphoryloxy-3,3-dimethylpentan-2-yl)oxy-phenylphosphoryl]benzene
CID 90416172
(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
CID 13203114
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
[(R)-(4-methoxyphenyl)-phosphonomethyl]-[(1S)-1-phenylethyl]azanium
CID 91935310
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene?
The IUPAC name of 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene (CID 102079246) is 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene?
The canonical SMILES for 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene is COc1ccc([C@@H](C)OP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene?
The InChIKey is LMMJUETXRRTNNI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21O3P/c1-17(18-13-15-19(23-2)16-14-18)24-25(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene?
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene has a molecular weight of 352.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene is sourced from PubChem (CID 102079246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).