1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene

C28H25O2P — CID 101399397

IUPAC1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
SMILESC=C(c1ccc(OC)cc1)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25O2P/c1-22(23-18-20-25(30-2)21-19-23)28(24-12-6-3-7-13-24)31(29,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,28H,1H2,2H3/t28-/m1/s1
InChIKeyWUVSHTWYURMSOF-MUUNZHRXSA-N
MW424.48 g/mol
LogP6.46
Rot. Bonds7

About 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene

1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene (PubChem CID 101399397) has the molecular formula C28H25O2P and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
PubChem CID101399397
Molecular FormulaC28H25O2P
Molecular Weight424.48 g/mol
Exact Mass424.16
IUPAC Name1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
SMILESC=C(c1ccc(OC)cc1)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25O2P/c1-22(23-18-20-25(30-2)21-19-23)28(24-12-6-3-7-13-24)31(29,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,28H,1H2,2H3/t28-/m1/s1
InChIKeyWUVSHTWYURMSOF-MUUNZHRXSA-N
XLogP6.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
CID 155683528
2-[3-diphenylphosphoryl-3-(4-methoxyphenyl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175870467
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
CID 13203114
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene (CID 101399397) is 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene is C=C(c1ccc(OC)cc1)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
The InChIKey is WUVSHTWYURMSOF-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H25O2P/c1-22(23-18-20-25(30-2)21-19-23)28(24-12-6-3-7-13-24)31(29,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21,28H,1H2,2H3/t28-/m1/s1.
What are the key properties of 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene has a molecular weight of 424.48 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene is sourced from PubChem (CID 101399397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).