[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol

C31H42NO2P — CID 102226415

IUPAC[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol
SMILESCCCCCCN(CCCCCC)c1ccc(C(O)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H42NO2P/c1-3-5-7-15-25-32(26-16-8-6-4-2)28-23-21-27(22-24-28)31(33)35(34,29-17-11-9-12-18-29)30-19-13-10-14-20-30/h9-14,17-24,31,33H,3-8,15-16,25-26H2,1-2H3
InChIKeyFVQQOIHCVSZUID-UHFFFAOYSA-N
MW491.66 g/mol
LogP7.66
Rot. Bonds15

About [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol

[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol (PubChem CID 102226415) has the molecular formula C31H42NO2P and a molecular weight of 491.66 g/mol. Its IUPAC name is [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol.

Molecular Properties

Compound Name[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol
PubChem CID102226415
Molecular FormulaC31H42NO2P
Molecular Weight491.66 g/mol
Exact Mass491.30
IUPAC Name[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol
SMILESCCCCCCN(CCCCCC)c1ccc(C(O)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H42NO2P/c1-3-5-7-15-25-32(26-16-8-6-4-2)28-23-21-27(22-24-28)31(33)35(34,29-17-11-9-12-18-29)30-19-13-10-14-20-30/h9-14,17-24,31,33H,3-8,15-16,25-26H2,1-2H3
InChIKeyFVQQOIHCVSZUID-UHFFFAOYSA-N
XLogP7.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol 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

N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
3-(N-pentyl-4-propan-2-ylanilino)propanoic acid
CID 82318132
4-[nonyl(pentyl)amino]phenol
CID 174874757
4-[2-carboxyethyl(hexyl)amino]benzoic acid
CID 82318275
N,N-diheptyl-4-methylaniline
CID 20558578
4-(dioctylamino)phthalic acid
CID 20818058
2-(N-decylanilino)ethyl acetate
CID 70658915
N-(fluoromethyl)-N-hexylaniline
CID 22637345
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
3-(N-hexylanilino)propanethioamide
CID 29006609

Frequently Asked Questions

What is the IUPAC name of [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol?
The IUPAC name of [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol (CID 102226415) is [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol.
What is the SMILES notation for [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol?
The canonical SMILES for [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol is CCCCCCN(CCCCCC)c1ccc(C(O)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol?
The InChIKey is FVQQOIHCVSZUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42NO2P/c1-3-5-7-15-25-32(26-16-8-6-4-2)28-23-21-27(22-24-28)31(33)35(34,29-17-11-9-12-18-29)30-19-13-10-14-20-30/h9-14,17-24,31,33H,3-8,15-16,25-26H2,1-2H3.
What are the key properties of [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol?
[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol has a molecular weight of 491.66 g/mol, XLogP of 7.66, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dihexylamino)phenyl]-diphenylphosphorylmethanol is sourced from PubChem (CID 102226415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).