(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol

C20H28NO4P — CID 11862713

IUPAC(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1[C@H](O)[P@@](=O)(OCC(C)C)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H28NO4P/c1-15(2)14-25-26(23,17-12-10-16(11-13-17)21(3)4)20(22)18-8-6-7-9-19(18)24-5/h6-13,15,20,22H,14H2,1-5H3/t20-,26+/m1/s1
InChIKeyFKVLVEHBZUCXMZ-IBVKSMDESA-N
MW377.42 g/mol
LogP4.03
Rot. Bonds8

About (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol

(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol (PubChem CID 11862713) has the molecular formula C20H28NO4P and a molecular weight of 377.42 g/mol. Its IUPAC name is (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
PubChem CID11862713
Molecular FormulaC20H28NO4P
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1[C@H](O)[P@@](=O)(OCC(C)C)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H28NO4P/c1-15(2)14-25-26(23,17-12-10-16(11-13-17)21(3)4)20(22)18-8-6-7-9-19(18)24-5/h6-13,15,20,22H,14H2,1-5H3/t20-,26+/m1/s1
InChIKeyFKVLVEHBZUCXMZ-IBVKSMDESA-N
XLogP4.03
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
CID 11876280
(S)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863031
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 3717368
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863033
(S)-(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]methanol
CID 11863150
(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
CID 11860720
4-[[anilino-(2,5-dimethoxyphenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 3586017
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11863029
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
CID 11863273

Frequently Asked Questions

What is the IUPAC name of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol?
The IUPAC name of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol (CID 11862713) is (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol.
What is the SMILES notation for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol?
The canonical SMILES for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol is COc1ccccc1[C@H](O)[P@@](=O)(OCC(C)C)c1ccc(N(C)C)cc1.
What is the InChIKey of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol?
The InChIKey is FKVLVEHBZUCXMZ-IBVKSMDESA-N. The full InChI is InChI=1S/C20H28NO4P/c1-15(2)14-25-26(23,17-12-10-16(11-13-17)21(3)4)20(22)18-8-6-7-9-19(18)24-5/h6-13,15,20,22H,14H2,1-5H3/t20-,26+/m1/s1.
What are the key properties of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol?
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol has a molecular weight of 377.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol is sourced from PubChem (CID 11862713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).