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

C10H12O3 — CID 10726056

IUPAC[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1COC(c2ccccc2)O1
InChIInChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10?/m0/s1
InChIKeyAUDDNHGBAJNKEH-RGURZIINSA-N
MW180.20 g/mol
LogP1.09
Rot. Bonds2

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

[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10726056) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
PubChem CID10726056
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1COC(c2ccccc2)O1
InChIInChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10?/m0/s1
InChIKeyAUDDNHGBAJNKEH-RGURZIINSA-N
XLogP1.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
CID 82112171
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol
CID 161032649
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
CID 21306105
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
1-[(2-phenyl-1,3-dioxolan-4-yl)methyl]-3,4-di(propan-2-yl)pyrrole-2,5-diol
CID 123767494

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol (CID 10726056) is [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol is OC[C@H]1COC(c2ccccc2)O1.
What is the InChIKey of [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is AUDDNHGBAJNKEH-RGURZIINSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10?/m0/s1.
What are the key properties of [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol?
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 180.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10726056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).