(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol

C19H25ClNO3P — CID 11862972

IUPAC(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
SMILESCCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClNO3P/c1-4-5-14-24-25(23,18-12-10-17(11-13-18)21(2)3)19(22)15-6-8-16(20)9-7-15/h6-13,19,22H,4-5,14H2,1-3H3/t19-,25+/m1/s1
InChIKeyWVIKTHFAJJUBSS-CLOONOSVSA-N
MW381.84 g/mol
LogP4.82
Rot. Bonds8

About (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol

(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol (PubChem CID 11862972) has the molecular formula C19H25ClNO3P and a molecular weight of 381.84 g/mol. Its IUPAC name is (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
PubChem CID11862972
Molecular FormulaC19H25ClNO3P
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC Name(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
SMILESCCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClNO3P/c1-4-5-14-24-25(23,18-12-10-17(11-13-18)21(2)3)19(22)15-6-8-16(20)9-7-15/h6-13,19,22H,4-5,14H2,1-3H3/t19-,25+/m1/s1
InChIKeyWVIKTHFAJJUBSS-CLOONOSVSA-N
XLogP4.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol
CID 3287496
(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
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273

Frequently Asked Questions

What is the IUPAC name of (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol?
The IUPAC name of (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol (CID 11862972) is (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol.
What is the SMILES notation for (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol?
The canonical SMILES for (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol is CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol?
The InChIKey is WVIKTHFAJJUBSS-CLOONOSVSA-N. The full InChI is InChI=1S/C19H25ClNO3P/c1-4-5-14-24-25(23,18-12-10-17(11-13-18)21(2)3)19(22)15-6-8-16(20)9-7-15/h6-13,19,22H,4-5,14H2,1-3H3/t19-,25+/m1/s1.
What are the key properties of (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol?
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol has a molecular weight of 381.84 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 11862972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).