6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide

C18H18ClNO4 — CID 11725288

IUPAC6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide
SMILESCC1(O)OOC(c2ccccc2)(c2ccc(Cl)cc2)CC1C(N)=O
InChIInChI=1S/C18H18ClNO4/c1-17(22)15(16(20)21)11-18(24-23-17,12-5-3-2-4-6-12)13-7-9-14(19)10-8-13/h2-10,15,22H,11H2,1H3,(H2,20,21)
InChIKeyZKDFKSYJBWQDTD-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.75
Rot. Bonds3

About 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide

6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide (PubChem CID 11725288) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide
PubChem CID11725288
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide
SMILESCC1(O)OOC(c2ccccc2)(c2ccc(Cl)cc2)CC1C(N)=O
InChIInChI=1S/C18H18ClNO4/c1-17(22)15(16(20)21)11-18(24-23-17,12-5-3-2-4-6-12)13-7-9-14(19)10-8-13/h2-10,15,22H,11H2,1H3,(H2,20,21)
InChIKeyZKDFKSYJBWQDTD-UHFFFAOYSA-N
XLogP2.75
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6,6-Bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872229
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyoct-7-enamide
CID 9863670
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyheptanamide
CID 9906294
4-(4-Chlorophenyl)-4-hydroxyhexanamide
CID 10083069
3-(4-Chlorophenyl)-3-hydroxypentanamide
CID 10421284
3-(4-Chlorophenyl)-3-methoxy-2-phenylbutanamide
CID 69772883
4,4-Bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide
CID 70457768
2-[2,2-Bis(4-chlorophenyl)-2-hydroxyethyl]pentanamide
CID 70457772
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide
CID 122623169
3-(4-Chlorophenyl)-3-hydroxycyclobutane-1-carboxamide;ethyl 3-(4-chlorophenyl)-3-hydroxycyclobutane-1-carboxylate
CID 159152478
4-(4-Chlorophenyl)-4-hydroxyheptanamide
CID 9816529
3-(4-Chlorophenyl)-3-hydroxyhexanamide
CID 9881277

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide (CID 11725288) is 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide is CC1(O)OOC(c2ccccc2)(c2ccc(Cl)cc2)CC1C(N)=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide?
The InChIKey is ZKDFKSYJBWQDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-17(22)15(16(20)21)11-18(24-23-17,12-5-3-2-4-6-12)13-7-9-14(19)10-8-13/h2-10,15,22H,11H2,1H3,(H2,20,21).
What are the key properties of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide?
6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxamide is sourced from PubChem (CID 11725288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).