(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane

C10H12O2 — CID 10374766

IUPAC(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane
SMILESC[C@H]1OC[C@H](c2ccccc2)O1
InChIInChI=1S/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m0/s1
InChIKeyYPPGSWWESBCSCT-WCBMZHEXSA-N
MW164.20 g/mol
LogP2.12
Rot. Bonds1

About (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane

(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane (PubChem CID 10374766) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane
PubChem CID10374766
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane
SMILESC[C@H]1OC[C@H](c2ccccc2)O1
InChIInChI=1S/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m0/s1
InChIKeyYPPGSWWESBCSCT-WCBMZHEXSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane?
The IUPAC name of (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane (CID 10374766) is (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane.
What is the SMILES notation for (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane?
The canonical SMILES for (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane is C[C@H]1OC[C@H](c2ccccc2)O1.
What is the InChIKey of (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane?
The InChIKey is YPPGSWWESBCSCT-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m0/s1.
What are the key properties of (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane?
(2S,4S)-2-methyl-4-phenyl-1,3-dioxolane has a molecular weight of 164.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 10374766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).