4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol

C15H17ClNO4P — CID 46939615

IUPAC4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
SMILESCOP(=O)(OC)C(Nc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H17ClNO4P/c1-20-22(19,21-2)15(11-3-9-14(18)10-4-11)17-13-7-5-12(16)6-8-13/h3-10,15,17-18H,1-2H3
InChIKeyZBYTXQLAWDKBFM-UHFFFAOYSA-N
MW341.73 g/mol
LogP4.64
Rot. Bonds6

About 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol

4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol (PubChem CID 46939615) has the molecular formula C15H17ClNO4P and a molecular weight of 341.73 g/mol. Its IUPAC name is 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
PubChem CID46939615
Molecular FormulaC15H17ClNO4P
Molecular Weight341.73 g/mol
Exact Mass341.06
IUPAC Name4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
SMILESCOP(=O)(OC)C(Nc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H17ClNO4P/c1-20-22(19,21-2)15(11-3-9-14(18)10-4-11)17-13-7-5-12(16)6-8-13/h3-10,15,17-18H,1-2H3
InChIKeyZBYTXQLAWDKBFM-UHFFFAOYSA-N
XLogP4.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(R)-(4-chloroanilino)-diethoxyphosphorylmethyl]phenol;N,N-dimethylformamide
CID 139086862
N-[dimethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)aniline
CID 11575500
N-[(4-bromophenyl)-di(propan-2-yloxy)phosphorylmethyl]-4-chloroaniline
CID 4299844
(1S)-N-benzyl-1-(4-chlorophenyl)-1-dimethoxyphosphorylmethanamine
CID 139054525
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
4-chlorophenol;methoxymethane
CID 23617160
N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
CID 102204724
4-[(R)-(4-chloroanilino)-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenol
CID 7038054
[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
CID 76958127
methyl 2-[[(4-chlorophenyl)-(4-hydroxyphenyl)methyl]amino]acetate
CID 43095649
(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
CID 7018978
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol?
The IUPAC name of 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol (CID 46939615) is 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol.
What is the SMILES notation for 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol?
The canonical SMILES for 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol is COP(=O)(OC)C(Nc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol?
The InChIKey is ZBYTXQLAWDKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClNO4P/c1-20-22(19,21-2)15(11-3-9-14(18)10-4-11)17-13-7-5-12(16)6-8-13/h3-10,15,17-18H,1-2H3.
What are the key properties of 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol?
4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol has a molecular weight of 341.73 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol is sourced from PubChem (CID 46939615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).