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

C12H16O3 — CID 123199966

IUPAC4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCC1OC(Cc2ccc(O)cc2)OC1C
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
InChIKeyLZNLGTWGIXTYMF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds2

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

4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol (PubChem CID 123199966) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol
PubChem CID123199966
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCC1OC(Cc2ccc(O)cc2)OC1C
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
InChIKeyLZNLGTWGIXTYMF-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol?
The IUPAC name of 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol (CID 123199966) is 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol is CC1OC(Cc2ccc(O)cc2)OC1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol?
The InChIKey is LZNLGTWGIXTYMF-UHFFFAOYSA-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.
What are the key properties of 4-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol?
4-[(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-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]phenol is sourced from PubChem (CID 123199966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).