(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol

C19H26NO4P — CID 11863010

IUPAC(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
SMILESCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1OC
InChIInChI=1S/C19H26NO4P/c1-5-14-24-25(22,16-12-10-15(11-13-16)20(2)3)19(21)17-8-6-7-9-18(17)23-4/h6-13,19,21H,5,14H2,1-4H3/t19-,25-/m0/s1
InChIKeyIFNLVECWWFLDHI-DFBJGRDBSA-N
MW363.39 g/mol
LogP3.78
Rot. Bonds8

About (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol

(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol (PubChem CID 11863010) has the molecular formula C19H26NO4P and a molecular weight of 363.39 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
PubChem CID11863010
Molecular FormulaC19H26NO4P
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
SMILESCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1OC
InChIInChI=1S/C19H26NO4P/c1-5-14-24-25(22,16-12-10-15(11-13-16)20(2)3)19(21)17-8-6-7-9-18(17)23-4/h6-13,19,21H,5,14H2,1-4H3/t19-,25-/m0/s1
InChIKeyIFNLVECWWFLDHI-DFBJGRDBSA-N
XLogP3.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.78
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

(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
CID 3786964
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(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
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4-dimethoxyphenyl)methanol
CID 11862953
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
4-[[(R)-anilino-(2,5-dimethoxyphenyl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
CID 41081085

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol (CID 11863010) is (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol is CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1OC.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol?
The InChIKey is IFNLVECWWFLDHI-DFBJGRDBSA-N. The full InChI is InChI=1S/C19H26NO4P/c1-5-14-24-25(22,16-12-10-15(11-13-16)20(2)3)19(21)17-8-6-7-9-18(17)23-4/h6-13,19,21H,5,14H2,1-4H3/t19-,25-/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol?
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol has a molecular weight of 363.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol is sourced from PubChem (CID 11863010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).