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

C19H26NO4P — CID 11863087

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

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

(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol (PubChem CID 11863087) has the molecular formula C19H26NO4P and a molecular weight of 363.39 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
PubChem CID11863087
Molecular FormulaC19H26NO4P
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
SMILESCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C19H26NO4P/c1-5-14-24-25(22,18-12-8-16(9-13-18)20(2)3)19(21)15-6-10-17(23-4)11-7-15/h6-13,19,21H,5,14H2,1-4H3/t19-,25+/m0/s1
InChIKeyRHFSOHYMTGDRPJ-UQBPGWFLSA-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

(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4-dimethoxyphenyl)methanol
CID 11862953
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol (CID 11863087) is (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol is CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(OC)cc1.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol?
The InChIKey is RHFSOHYMTGDRPJ-UQBPGWFLSA-N. The full InChI is InChI=1S/C19H26NO4P/c1-5-14-24-25(22,18-12-8-16(9-13-18)20(2)3)19(21)15-6-10-17(23-4)11-7-15/h6-13,19,21H,5,14H2,1-4H3/t19-,25+/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol?
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-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]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 11863087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).