[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

C17H18O3 — CID 141385272

IUPAC[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESCc1ccccc1[C@@H]1O[C@H](c2ccccc2)O[C@H]1CO
InChIInChI=1S/C17H18O3/c1-12-7-5-6-10-14(12)16-15(11-18)19-17(20-16)13-8-3-2-4-9-13/h2-10,15-18H,11H2,1H3/t15-,16-,17+/m0/s1
InChIKeyKRMXRFSODCLGAC-YESZJQIVSA-N
MW270.33 g/mol
LogP3.14
Rot. Bonds3

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

[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 141385272) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
PubChem CID141385272
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESCc1ccccc1[C@@H]1O[C@H](c2ccccc2)O[C@H]1CO
InChIInChI=1S/C17H18O3/c1-12-7-5-6-10-14(12)16-15(11-18)19-17(20-16)13-8-3-2-4-9-13/h2-10,15-18H,11H2,1H3/t15-,16-,17+/m0/s1
InChIKeyKRMXRFSODCLGAC-YESZJQIVSA-N
XLogP3.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 144861754
[(2S,4S,5S)-5-(2-chlorophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 140688315
[(4S,5S)-5-(2-iodophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 90026456
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
[(2R,4R,5R)-5-[(2S,4R,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 34174718
methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 123770104
4-(hydroxymethyl)-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115062397
ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 91482861
[(3aS,4S,6R,6aS)-4-methoxy-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 166446661
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (CID 141385272) is [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is Cc1ccccc1[C@@H]1O[C@H](c2ccccc2)O[C@H]1CO.
What is the InChIKey of [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is KRMXRFSODCLGAC-YESZJQIVSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-7-5-6-10-14(12)16-15(11-18)19-17(20-16)13-8-3-2-4-9-13/h2-10,15-18H,11H2,1H3/t15-,16-,17+/m0/s1.
What are the key properties of [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 270.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 141385272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).