[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol

C20H28NO3P — CID 3372681

IUPAC[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
SMILESCC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H28NO3P/c1-16(2)14-15-24-25(23,20(22)17-8-6-5-7-9-17)19-12-10-18(11-13-19)21(3)4/h5-13,16,20,22H,14-15H2,1-4H3
InChIKeyNDSMUUMNRYBCPP-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.41
Rot. Bonds8

About [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol

[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol (PubChem CID 3372681) has the molecular formula C20H28NO3P and a molecular weight of 361.42 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
PubChem CID3372681
Molecular FormulaC20H28NO3P
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
SMILESCC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H28NO3P/c1-16(2)14-15-24-25(23,20(22)17-8-6-5-7-9-17)19-12-10-18(11-13-19)21(3)4/h5-13,16,20,22H,14-15H2,1-4H3
InChIKeyNDSMUUMNRYBCPP-UHFFFAOYSA-N
XLogP4.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol 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)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol
CID 663201
4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 3266264
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
CID 11860785
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(S)-(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]methanol
CID 11863150
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751
(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
CID 11860720
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol (CID 3372681) is [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol is CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol?
The InChIKey is NDSMUUMNRYBCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO3P/c1-16(2)14-15-24-25(23,20(22)17-8-6-5-7-9-17)19-12-10-18(11-13-19)21(3)4/h5-13,16,20,22H,14-15H2,1-4H3.
What are the key properties of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol?
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol has a molecular weight of 361.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol is sourced from PubChem (CID 3372681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).