[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol

C11H14O3 — CID 94253899

IUPAC[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ccccc1[C@H]1OC[C@H](CO)O1
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1
InChIKeySZESZZKBJJPMKG-ONGXEEELSA-N
MW194.23 g/mol
LogP1.40
Rot. Bonds2

About [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol

[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 94253899) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
PubChem CID94253899
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ccccc1[C@H]1OC[C@H](CO)O1
InChIInChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1
InChIKeySZESZZKBJJPMKG-ONGXEEELSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol (CID 94253899) is [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol is Cc1ccccc1[C@H]1OC[C@H](CO)O1.
What is the InChIKey of [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is SZESZZKBJJPMKG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1.
What are the key properties of [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 194.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 94253899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).