4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol

C12H16O3 — CID 139585257

IUPAC4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol
SMILESC[C@@H]1OC(Cc2ccc(O)cc2)O[C@H]1C
InChIInChI=1S/C12H16O3/c1-8-9(2)15-12(14-8)7-10-3-5-11(13)6-4-10/h3-6,8-9,12-13H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyLZNLGTWGIXTYMF-IUCAKERBSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds2

About 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol

4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol (PubChem CID 139585257) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol
PubChem CID139585257
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol
SMILESC[C@@H]1OC(Cc2ccc(O)cc2)O[C@H]1C
InChIInChI=1S/C12H16O3/c1-8-9(2)15-12(14-8)7-10-3-5-11(13)6-4-10/h3-6,8-9,12-13H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyLZNLGTWGIXTYMF-IUCAKERBSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol?
The IUPAC name of 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol (CID 139585257) is 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol?
The canonical SMILES for 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol is C[C@@H]1OC(Cc2ccc(O)cc2)O[C@H]1C.
What is the InChIKey of 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol?
The InChIKey is LZNLGTWGIXTYMF-IUCAKERBSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-9(2)15-12(14-8)7-10-3-5-11(13)6-4-10/h3-6,8-9,12-13H,7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol?
4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol has a molecular weight of 208.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]phenol is sourced from PubChem (CID 139585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).