(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol

C18H24NO3P — CID 11863122

IUPAC(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
SMILESCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H24NO3P/c1-4-14-22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(2)3/h5-13,18,20H,4,14H2,1-3H3/t18-,23+/m1/s1
InChIKeyAVOAUULDRYUJOO-JPYJTQIMSA-N
MW333.37 g/mol
LogP3.77
Rot. Bonds7

About (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol

(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol (PubChem CID 11863122) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
PubChem CID11863122
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC Name(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
SMILESCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H24NO3P/c1-4-14-22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(2)3/h5-13,18,20H,4,14H2,1-3H3/t18-,23+/m1/s1
InChIKeyAVOAUULDRYUJOO-JPYJTQIMSA-N
XLogP3.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.77
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

[[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]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
CID 3786964
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751

Frequently Asked Questions

What is the IUPAC name of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol?
The IUPAC name of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol (CID 11863122) is (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol.
What is the SMILES notation for (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol?
The canonical SMILES for (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol is CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol?
The InChIKey is AVOAUULDRYUJOO-JPYJTQIMSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-4-14-22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(2)3/h5-13,18,20H,4,14H2,1-3H3/t18-,23+/m1/s1.
What are the key properties of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol?
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol has a molecular weight of 333.37 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol is sourced from PubChem (CID 11863122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).