(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol

C18H24NO3P — CID 11860745

IUPAC(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
SMILESCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C18H24NO3P/c1-5-22-23(21,17-12-10-16(11-13-17)19(3)4)18(20)15-8-6-14(2)7-9-15/h6-13,18,20H,5H2,1-4H3/t18-,23+/m0/s1
InChIKeyYNWNPAXZDLGMTF-FDDCHVKYSA-N
MW333.37 g/mol
LogP3.69
Rot. Bonds6

About (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol

(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol (PubChem CID 11860745) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
PubChem CID11860745
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
SMILESCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C18H24NO3P/c1-5-22-23(21,17-12-10-16(11-13-17)19(3)4)18(20)15-8-6-14(2)7-9-15/h6-13,18,20H,5H2,1-4H3/t18-,23+/m0/s1
InChIKeyYNWNPAXZDLGMTF-FDDCHVKYSA-N
XLogP3.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863070
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
CID 11860785
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
CID 11906970
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol (CID 11860745) is (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol is CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C)cc1.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol?
The InChIKey is YNWNPAXZDLGMTF-FDDCHVKYSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-5-22-23(21,17-12-10-16(11-13-17)19(3)4)18(20)15-8-6-14(2)7-9-15/h6-13,18,20H,5H2,1-4H3/t18-,23+/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol?
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol has a molecular weight of 333.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol is sourced from PubChem (CID 11860745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).