[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone

C12H15ClNO2P — CID 118058504

IUPAC[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone
SMILESCPC(=O)C1(O)CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClNO2P/c1-17-11(15)12(16)6-7-14(8-12)10-4-2-9(13)3-5-10/h2-5,16-17H,6-8H2,1H3
InChIKeyPTVPJQXOFLTTSL-UHFFFAOYSA-N
MW271.68 g/mol
LogP2.12
Rot. Bonds3

About [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone

[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone (PubChem CID 118058504) has the molecular formula C12H15ClNO2P and a molecular weight of 271.68 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone
PubChem CID118058504
Molecular FormulaC12H15ClNO2P
Molecular Weight271.68 g/mol
Exact Mass271.05
IUPAC Name[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone
SMILESCPC(=O)C1(O)CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClNO2P/c1-17-11(15)12(16)6-7-14(8-12)10-4-2-9(13)3-5-10/h2-5,16-17H,6-8H2,1H3
InChIKeyPTVPJQXOFLTTSL-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 52.12
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

methyl 1-(4-chlorophenyl)-3-hydroxypyrrolidine-3-carboxylate
CID 122579158
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025109
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
1-(4-chlorophenyl)-3,3-diethylpiperazine
CID 64925456
2-acetyl-4-(4-chlorophenyl)-2-(methylamino)piperazine-1-carboxylic acid
CID 69366611
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
(3S)-1-(4-chloro-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 155312513
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122836

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone?
The IUPAC name of [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone (CID 118058504) is [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone is CPC(=O)C1(O)CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone?
The InChIKey is PTVPJQXOFLTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClNO2P/c1-17-11(15)12(16)6-7-14(8-12)10-4-2-9(13)3-5-10/h2-5,16-17H,6-8H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone?
[1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone has a molecular weight of 271.68 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-hydroxypyrrolidin-3-yl]-methylphosphanylmethanone is sourced from PubChem (CID 118058504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).