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

C12H16O4 — CID 117169822

IUPAC3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
SMILESCC1(c2cccc(O)c2)OCC(CCO)O1
InChIInChI=1S/C12H16O4/c1-12(9-3-2-4-10(14)7-9)15-8-11(16-12)5-6-13/h2-4,7,11,13-14H,5-6,8H2,1H3
InChIKeyVAAUHVACBIQTQN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.36
Rot. Bonds3

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

3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol (PubChem CID 117169822) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
PubChem CID117169822
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
SMILESCC1(c2cccc(O)c2)OCC(CCO)O1
InChIInChI=1S/C12H16O4/c1-12(9-3-2-4-10(14)7-9)15-8-11(16-12)5-6-13/h2-4,7,11,13-14H,5-6,8H2,1H3
InChIKeyVAAUHVACBIQTQN-UHFFFAOYSA-N
XLogP1.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol?
The IUPAC name of 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol (CID 117169822) is 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol?
The canonical SMILES for 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol is CC1(c2cccc(O)c2)OCC(CCO)O1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol?
The InChIKey is VAAUHVACBIQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(9-3-2-4-10(14)7-9)15-8-11(16-12)5-6-13/h2-4,7,11,13-14H,5-6,8H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol?
3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol has a molecular weight of 224.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol is sourced from PubChem (CID 117169822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).