[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol

C19H24Cl2NO3P — CID 3287496

IUPAC[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol
SMILESCCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H24Cl2NO3P/c1-4-5-13-25-26(24,15-11-9-14(10-12-15)22(2)3)19(23)18-16(20)7-6-8-17(18)21/h6-12,19,23H,4-5,13H2,1-3H3
InChIKeyPRUWMCDBKSNGLJ-UHFFFAOYSA-N
MW416.29 g/mol
LogP5.47
Rot. Bonds8

About [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol

[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol (PubChem CID 3287496) has the molecular formula C19H24Cl2NO3P and a molecular weight of 416.29 g/mol. Its IUPAC name is [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol.

Molecular Properties

Compound Name[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol
PubChem CID3287496
Molecular FormulaC19H24Cl2NO3P
Molecular Weight416.29 g/mol
Exact Mass415.09
IUPAC Name[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol
SMILESCCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H24Cl2NO3P/c1-4-5-13-25-26(24,15-11-9-14(10-12-15)22(2)3)19(23)18-16(20)7-6-8-17(18)21/h6-12,19,23H,4-5,13H2,1-3H3
InChIKeyPRUWMCDBKSNGLJ-UHFFFAOYSA-N
XLogP5.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4-dimethoxyphenyl)methanol
CID 11862953
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
CID 3786964
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
4-[[anilino-(2,6-dichlorophenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 5100468

Frequently Asked Questions

What is the IUPAC name of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol?
The IUPAC name of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol (CID 3287496) is [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol.
What is the SMILES notation for [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol?
The canonical SMILES for [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol is CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol?
The InChIKey is PRUWMCDBKSNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2NO3P/c1-4-5-13-25-26(24,15-11-9-14(10-12-15)22(2)3)19(23)18-16(20)7-6-8-17(18)21/h6-12,19,23H,4-5,13H2,1-3H3.
What are the key properties of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol?
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol has a molecular weight of 416.29 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol is sourced from PubChem (CID 3287496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).