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

C11H14O3 — CID 94253898

IUPAC[(2R,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-GXSJLCMTSA-N
MW194.23 g/mol
LogP1.40
Rot. Bonds2

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

[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 94253898) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
PubChem CID94253898
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[(2R,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-GXSJLCMTSA-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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Related Compounds

[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094617
(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane
CID 36690006
[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
CID 163756517
4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
CID 82112171
(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
CID 36690087
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-methylbenzamide;oxiran-2-ylmethanol
CID 174432079
[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 141385272
ethane;[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 144861754
(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol
CID 155589326

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol (CID 94253898) is [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol is Cc1ccccc1[C@@H]1OC[C@H](CO)O1.
What is the InChIKey of [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is SZESZZKBJJPMKG-GXSJLCMTSA-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 [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol?
[(2R,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 [(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 94253898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).