(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol

C20H28NO5P — CID 11863029

IUPAC(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
SMILESCOc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H28NO5P/c1-14(2)26-27(23,17-10-7-15(8-11-17)21(3)4)20(22)18-12-9-16(24-5)13-19(18)25-6/h7-14,20,22H,1-6H3/t20-,27-/m1/s1
InChIKeyHVUKZBBMUHJLSL-NFQMXDRXSA-N
MW393.42 g/mol
LogP3.79
Rot. Bonds8

About (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol

(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol (PubChem CID 11863029) has the molecular formula C20H28NO5P and a molecular weight of 393.42 g/mol. Its IUPAC name is (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol.

Molecular Properties

Compound Name(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
PubChem CID11863029
Molecular FormulaC20H28NO5P
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
SMILESCOc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H28NO5P/c1-14(2)26-27(23,17-10-7-15(8-11-17)21(3)4)20(22)18-12-9-16(24-5)13-19(18)25-6/h7-14,20,22H,1-6H3/t20-,27-/m1/s1
InChIKeyHVUKZBBMUHJLSL-NFQMXDRXSA-N
XLogP3.79
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(S)-(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]methanol
CID 11863150
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
CID 11863273
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
CID 11906970
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 3470225
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11862807
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
4-[[anilino-(2,4-dimethoxyphenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 3631354
2-(2,4-dimethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848082
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863033
(S)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863031
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 3717368

Frequently Asked Questions

What is the IUPAC name of (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
The IUPAC name of (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol (CID 11863029) is (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol.
What is the SMILES notation for (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
The canonical SMILES for (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol is COc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
The InChIKey is HVUKZBBMUHJLSL-NFQMXDRXSA-N. The full InChI is InChI=1S/C20H28NO5P/c1-14(2)26-27(23,17-10-7-15(8-11-17)21(3)4)20(22)18-12-9-16(24-5)13-19(18)25-6/h7-14,20,22H,1-6H3/t20-,27-/m1/s1.
What are the key properties of (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol has a molecular weight of 393.42 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol is sourced from PubChem (CID 11863029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).