3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol

C17H16Cl2O2 — CID 10336292

IUPAC3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol
SMILESCC1(c2ccccc2)CC(Cl)(Cl)C(O)(c2ccccc2)O1
InChIInChI=1S/C17H16Cl2O2/c1-15(13-8-4-2-5-9-13)12-16(18,19)17(20,21-15)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3
InChIKeyYCOPHOBXAFFGQG-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.34
Rot. Bonds2

About 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol

3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol (PubChem CID 10336292) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol.

Molecular Properties

Compound Name3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol
PubChem CID10336292
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol
SMILESCC1(c2ccccc2)CC(Cl)(Cl)C(O)(c2ccccc2)O1
InChIInChI=1S/C17H16Cl2O2/c1-15(13-8-4-2-5-9-13)12-16(18,19)17(20,21-15)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3
InChIKeyYCOPHOBXAFFGQG-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2-phenyloxirane
CID 11629614
3,3-dichloro-2-phenyloxan-2-ol
CID 166443974
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
[(1S)-1,2,2-trichlorocyclopropyl]benzene
CID 95239829
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
CID 14959257
(1S,6R)-4-methyl-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CID 10774046
3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol
CID 100998579

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol?
The IUPAC name of 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol (CID 10336292) is 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol.
What is the SMILES notation for 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol?
The canonical SMILES for 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol is CC1(c2ccccc2)CC(Cl)(Cl)C(O)(c2ccccc2)O1.
What is the InChIKey of 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol?
The InChIKey is YCOPHOBXAFFGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-15(13-8-4-2-5-9-13)12-16(18,19)17(20,21-15)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3.
What are the key properties of 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol?
3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol has a molecular weight of 323.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol is sourced from PubChem (CID 10336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).