3,3-dichloro-2-phenyloxan-2-ol

C11H12Cl2O2 — CID 166443974

IUPAC3,3-dichloro-2-phenyloxan-2-ol
SMILESOC1(c2ccccc2)OCCCC1(Cl)Cl
InChIInChI=1S/C11H12Cl2O2/c12-10(13)7-4-8-15-11(10,14)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2
InChIKeyKNCWMRRLBLZBTA-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.82
Rot. Bonds1

About 3,3-dichloro-2-phenyloxan-2-ol

3,3-dichloro-2-phenyloxan-2-ol (PubChem CID 166443974) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3,3-dichloro-2-phenyloxan-2-ol.

Molecular Properties

Compound Name3,3-dichloro-2-phenyloxan-2-ol
PubChem CID166443974
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3,3-dichloro-2-phenyloxan-2-ol
SMILESOC1(c2ccccc2)OCCCC1(Cl)Cl
InChIInChI=1S/C11H12Cl2O2/c12-10(13)7-4-8-15-11(10,14)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2
InChIKeyKNCWMRRLBLZBTA-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.82
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

bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730
2-(2-chlorophenyl)-2-phenyloxolane
CID 23016058
3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol
CID 10336292
copper;1-phenylcyclohexan-1-ol
CID 174727157
(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
CID 15361394
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
(2S)-2-(3-chloropropyl)-2-phenyloxolane
CID 94036971
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
(2-phenyloxan-2-yl)silane
CID 123975784

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2-phenyloxan-2-ol?
The IUPAC name of 3,3-dichloro-2-phenyloxan-2-ol (CID 166443974) is 3,3-dichloro-2-phenyloxan-2-ol.
What is the SMILES notation for 3,3-dichloro-2-phenyloxan-2-ol?
The canonical SMILES for 3,3-dichloro-2-phenyloxan-2-ol is OC1(c2ccccc2)OCCCC1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-2-phenyloxan-2-ol?
The InChIKey is KNCWMRRLBLZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-10(13)7-4-8-15-11(10,14)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2.
What are the key properties of 3,3-dichloro-2-phenyloxan-2-ol?
3,3-dichloro-2-phenyloxan-2-ol has a molecular weight of 247.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2-phenyloxan-2-ol is sourced from PubChem (CID 166443974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).