3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one

C14H19O4P — CID 10708009

IUPAC3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
SMILESCOP(=O)(CCC(=O)[C@H]1C[C@@H]1c1ccccc1)OC
InChIInChI=1S/C14H19O4P/c1-17-19(16,18-2)9-8-14(15)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyIIRAVBRSHQHYOA-OLZOCXBDSA-N
MW282.28 g/mol
LogP3.24
Rot. Bonds7

About 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one

3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one (PubChem CID 10708009) has the molecular formula C14H19O4P and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
PubChem CID10708009
Molecular FormulaC14H19O4P
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
SMILESCOP(=O)(CCC(=O)[C@H]1C[C@@H]1c1ccccc1)OC
InChIInChI=1S/C14H19O4P/c1-17-19(16,18-2)9-8-14(15)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyIIRAVBRSHQHYOA-OLZOCXBDSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
CID 114974523
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
CID 105134784
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
1-(2-phenylcyclopropyl)hex-5-en-1-one
CID 114974761
6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
CID 116574742
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one?
The IUPAC name of 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one (CID 10708009) is 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one.
What is the SMILES notation for 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one?
The canonical SMILES for 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one is COP(=O)(CCC(=O)[C@H]1C[C@@H]1c1ccccc1)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one?
The InChIKey is IIRAVBRSHQHYOA-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19O4P/c1-17-19(16,18-2)9-8-14(15)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one?
3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one has a molecular weight of 282.28 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one is sourced from PubChem (CID 10708009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).