2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol

C13H18O3 — CID 118151829

IUPAC2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)O[C@@H](CCO)[C@H](c2ccccc2)O1
InChIInChI=1S/C13H18O3/c1-13(2)15-11(8-9-14)12(16-13)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyBCZDILLGOAXRAB-RYUDHWBXSA-N
MW222.28 g/mol
LogP2.26
Rot. Bonds3

About 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol

2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 118151829) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
PubChem CID118151829
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)O[C@@H](CCO)[C@H](c2ccccc2)O1
InChIInChI=1S/C13H18O3/c1-13(2)15-11(8-9-14)12(16-13)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyBCZDILLGOAXRAB-RYUDHWBXSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)ethylsulfamic acid
CID 129068509
(4S,5S)-2,2-dimethyl-4-phenyl-5-(2,2,2-trichloroethyl)-1,3-dioxolane
CID 11324334
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
methyl 2-[(4S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]acetate
CID 71088677
(4S,5S)-2,2-dimethyl-4-[(3E,7E)-3-methylnona-3,7-dienyl]-5-phenyl-1,3-dioxolane
CID 15357967
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90027428
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
[(4R,5R)-5-[(diphenyl-λ3-iodanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenyl-λ3-iodane
CID 154560381
N-benzyl-2-chloro-N-[[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]methyl]ethanamine
CID 89385547

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol (CID 118151829) is 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol is CC1(C)O[C@@H](CCO)[C@H](c2ccccc2)O1.
What is the InChIKey of 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is BCZDILLGOAXRAB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2)15-11(8-9-14)12(16-13)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol?
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 118151829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).