(5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane

C18H18Br2O2 — CID 46863135

IUPAC(5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane
SMILESCCO[C@H]1CCC(c2ccc(Br)cc2)(c2ccc(Br)cc2)O1
InChIInChI=1S/C18H18Br2O2/c1-2-21-17-11-12-18(22-17,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1
InChIKeyNGNCZHZJQQXSND-QGZVFWFLSA-N
MW426.15 g/mol
LogP5.63
Rot. Bonds4

About (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane

(5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane (PubChem CID 46863135) has the molecular formula C18H18Br2O2 and a molecular weight of 426.15 g/mol. Its IUPAC name is (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane.

Molecular Properties

Compound Name(5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane
PubChem CID46863135
Molecular FormulaC18H18Br2O2
Molecular Weight426.15 g/mol
Exact Mass423.97
IUPAC Name(5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane
SMILESCCO[C@H]1CCC(c2ccc(Br)cc2)(c2ccc(Br)cc2)O1
InChIInChI=1S/C18H18Br2O2/c1-2-21-17-11-12-18(22-17,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1
InChIKeyNGNCZHZJQQXSND-QGZVFWFLSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.15
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
(8R,9R)-9-(4-bromophenyl)-8-[1-(4-bromophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527114
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
CID 54611351
2-(4-Bromophenyl)-5-hexyl-1,3-dioxane
CID 4370247
3-(4-Bromophenyl)-3-methoxyoxane
CID 177798052
(5R)-5-ethoxy-2,2-bis(4-fluorophenyl)oxolane
CID 134943342
2-(4-Bromophenyl)-4-methyl-1,3-dioxane
CID 11835736
2-(4-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 3847523
2-(3-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 10709691
2-(2-Bromo-5-(tert-butyl)phenyl)-1,3-dioxolane
CID 23016156

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane?
The IUPAC name of (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane (CID 46863135) is (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane.
What is the SMILES notation for (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane?
The canonical SMILES for (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane is CCO[C@H]1CCC(c2ccc(Br)cc2)(c2ccc(Br)cc2)O1.
What is the InChIKey of (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane?
The InChIKey is NGNCZHZJQQXSND-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18Br2O2/c1-2-21-17-11-12-18(22-17,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane?
(5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane has a molecular weight of 426.15 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2-bis(4-bromophenyl)-5-ethoxyoxolane is sourced from PubChem (CID 46863135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).