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

C22H30NO4P — CID 3717368

IUPAC[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)P(=O)(OC1CCCCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H30NO4P/c1-23(2)17-13-15-19(16-14-17)28(25,27-18-9-5-4-6-10-18)22(24)20-11-7-8-12-21(20)26-3/h7-8,11-16,18,22,24H,4-6,9-10H2,1-3H3
InChIKeyDQRJBSVBSJPXDF-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.70
Rot. Bonds7

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

[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol (PubChem CID 3717368) has the molecular formula C22H30NO4P and a molecular weight of 403.46 g/mol. Its IUPAC name is [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
PubChem CID3717368
Molecular FormulaC22H30NO4P
Molecular Weight403.46 g/mol
Exact Mass403.19
IUPAC Name[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)P(=O)(OC1CCCCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H30NO4P/c1-23(2)17-13-15-19(16-14-17)28(25,27-18-9-5-4-6-10-18)22(24)20-11-7-8-12-21(20)26-3/h7-8,11-16,18,22,24H,4-6,9-10H2,1-3H3
InChIKeyDQRJBSVBSJPXDF-UHFFFAOYSA-N
XLogP4.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol?
The IUPAC name of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol (CID 3717368) is [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol.
What is the SMILES notation for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol?
The canonical SMILES for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol is COc1ccccc1C(O)P(=O)(OC1CCCCC1)c1ccc(N(C)C)cc1.
What is the InChIKey of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol?
The InChIKey is DQRJBSVBSJPXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO4P/c1-23(2)17-13-15-19(16-14-17)28(25,27-18-9-5-4-6-10-18)22(24)20-11-7-8-12-21(20)26-3/h7-8,11-16,18,22,24H,4-6,9-10H2,1-3H3.
What are the key properties of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol?
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol has a molecular weight of 403.46 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol is sourced from PubChem (CID 3717368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).