1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone

C19H18Cl2O4 — CID 14872229

IUPAC1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
SMILESCC(=O)C1CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)OOC1(C)O
InChIInChI=1S/C19H18Cl2O4/c1-12(22)17-11-19(25-24-18(17,2)23,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,17,23H,11H2,1-2H3
InChIKeyBHPUWKHXCXXWAV-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.50
Rot. Bonds3

About 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone

1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone (PubChem CID 14872229) has the molecular formula C19H18Cl2O4 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone.

Molecular Properties

Compound Name1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
PubChem CID14872229
Molecular FormulaC19H18Cl2O4
Molecular Weight381.26 g/mol
Exact Mass380.06
IUPAC Name1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
SMILESCC(=O)C1CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)OOC1(C)O
InChIInChI=1S/C19H18Cl2O4/c1-12(22)17-11-19(25-24-18(17,2)23,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,17,23H,11H2,1-2H3
InChIKeyBHPUWKHXCXXWAV-UHFFFAOYSA-N
XLogP4.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-((1,1'-Biphenyl)-4-yl)-3-(4-chlorophenyl)-3-hydroxypropanoic acid
CID 3054480
1-[6,6-Bis(4-fluorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872232
1-(3-Hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
CID 14983159
(4S)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
CID 139121259
1-(4-Chlorophenyl)-3-hydroxy-3-phenylbutan-2-one
CID 102141891
1-[3-Hydroxy-3-methyl-6,6-bis(4-methylphenyl)dioxan-4-yl]ethanone
CID 14872231
5-(4-Chlorophenyl)-5-hydroxy-2-methylocta-1,7-dien-3-one
CID 23631042
2,5-Bis(4-chlorophenyl)-3,4-dioxohexanedioic acid
CID 359859
5-(4-Chlorophenyl)-5-hydroxy-2,2-dimethylhexan-3-one
CID 539876
4-Acetyl-3-methyl-6,6-diphenyl-1,2-dioxan-3-ol
CID 14872228
3,3-Bis(4-chlorophenyl)-8a-hydroxy-4a-methyl-4,6,7,8-tetrahydrobenzo[c][1,2]dioxin-5-one
CID 14983161
1-[3-Hydroxy-3-[(2-methylpropan-2-yl)oxy]-6,6-diphenyldioxan-4-yl]ethanone
CID 134928078

Frequently Asked Questions

What is the IUPAC name of 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone?
The IUPAC name of 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone (CID 14872229) is 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone.
What is the SMILES notation for 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone?
The canonical SMILES for 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone is CC(=O)C1CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)OOC1(C)O.
What is the InChIKey of 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone?
The InChIKey is BHPUWKHXCXXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O4/c1-12(22)17-11-19(25-24-18(17,2)23,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,17,23H,11H2,1-2H3.
What are the key properties of 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone?
1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone has a molecular weight of 381.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone is sourced from PubChem (CID 14872229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).