[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

C12H16O5 — CID 121016088

IUPAC[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1OC(c2ccccc2)OC1(CO)CO
InChIInChI=1S/C12H16O5/c13-6-10-12(7-14,8-15)17-11(16-10)9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11?/m1/s1
InChIKeyHESITFHGBXXALM-NFJWQWPMSA-N
MW240.25 g/mol
LogP-0.18
Rot. Bonds4

About [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 121016088) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
PubChem CID121016088
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1OC(c2ccccc2)OC1(CO)CO
InChIInChI=1S/C12H16O5/c13-6-10-12(7-14,8-15)17-11(16-10)9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11?/m1/s1
InChIKeyHESITFHGBXXALM-NFJWQWPMSA-N
XLogP-0.18
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R,5S)-4-(hydroxymethyl)-5-methyl-2-phenyl-1,3-dioxan-5-ol
CID 11736231
[(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
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[(1R,2S,6S,8R,9S,11S)-4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 129440626
[(1S,2R,6R,8S,9R,11S)-4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 135016015
[(3aS,4S,6R,6aS)-4-methoxy-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 166446661
[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol
CID 71734462
(2S,3R)-3-[[(2R,4S,5R)-5-hydroxy-5-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-methyloxirane-2-carbaldehyde
CID 102113579
[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol
CID 11470665
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
[(4S,5S)-5-(2-iodophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 90026456

Frequently Asked Questions

What is the IUPAC name of [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (CID 121016088) is [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is OC[C@H]1OC(c2ccccc2)OC1(CO)CO.
What is the InChIKey of [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is HESITFHGBXXALM-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H16O5/c13-6-10-12(7-14,8-15)17-11(16-10)9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11?/m1/s1.
What are the key properties of [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 240.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 121016088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).