6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide

C18H17Cl2NO4 — CID 10474982

IUPAC6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide
SMILESCC1(O)OOC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)CC1C(N)=O
InChIInChI=1S/C18H17Cl2NO4/c1-17(23)15(16(21)22)10-18(25-24-17,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-9,15,23H,10H2,1H3,(H2,21,22)
InChIKeyICSKXQWLBXKXGN-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.40
Rot. Bonds3

About 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide

6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide (PubChem CID 10474982) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide.

Molecular Properties

Compound Name6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide
PubChem CID10474982
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide
SMILESCC1(O)OOC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)CC1C(N)=O
InChIInChI=1S/C18H17Cl2NO4/c1-17(23)15(16(21)22)10-18(25-24-17,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-9,15,23H,10H2,1H3,(H2,21,22)
InChIKeyICSKXQWLBXKXGN-UHFFFAOYSA-N
XLogP3.40
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.40
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
1-[6,6-Bis(4-chlorophenyl)-3-ethoxy-3-hydroxydioxan-4-yl]ethanone
CID 134928088
6-[4-(4-chlorophenyl)phenyl]-N,6-dihydroxyheptanamide
CID 9906294
4-(4-Chlorophenyl)-4-hydroxyhexanamide
CID 10083069
3-(4-Chlorophenyl)-3-hydroxypentanamide
CID 10421284
4,4-Bis(4-chlorophenyl)-4-hydroxy-2-propan-2-ylbutanamide
CID 70457768
2-[2,2-Bis(4-chlorophenyl)-2-hydroxyethyl]pentanamide
CID 70457772
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
Methyl 6-(4-chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxane-4-carboxylate
CID 9975924
1-[6-(4-Chlorophenyl)-3-hydroxy-3-methyl-6-phenyldioxan-4-yl]ethanone
CID 10315643

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide?
The IUPAC name of 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide (CID 10474982) is 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide.
What is the SMILES notation for 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide?
The canonical SMILES for 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide is CC1(O)OOC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)CC1C(N)=O.
What is the InChIKey of 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide?
The InChIKey is ICSKXQWLBXKXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-17(23)15(16(21)22)10-18(25-24-17,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-9,15,23H,10H2,1H3,(H2,21,22).
What are the key properties of 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide?
6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide has a molecular weight of 382.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxamide is sourced from PubChem (CID 10474982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).