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

C13H18O4 — CID 117169568

IUPAC2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
SMILESCC1(Cc2ccccc2O)OCC(CCO)O1
InChIInChI=1S/C13H18O4/c1-13(16-9-11(17-13)6-7-14)8-10-4-2-3-5-12(10)15/h2-5,11,14-15H,6-9H2,1H3
InChIKeyVNPYTUFTDSDPSJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.45
Rot. Bonds4

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

2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol (PubChem CID 117169568) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
PubChem CID117169568
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
SMILESCC1(Cc2ccccc2O)OCC(CCO)O1
InChIInChI=1S/C13H18O4/c1-13(16-9-11(17-13)6-7-14)8-10-4-2-3-5-12(10)15/h2-5,11,14-15H,6-9H2,1H3
InChIKeyVNPYTUFTDSDPSJ-UHFFFAOYSA-N
XLogP1.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169652
2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169452
2-[2-[(3-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169464
2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169661
[2-[(2-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 117169627
4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane
CID 114835289
2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117169594
4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169658
3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
CID 117169822
2-[2-methyl-2-(piperidin-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169140
2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168537
2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168650

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
The IUPAC name of 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol (CID 117169568) is 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol is CC1(Cc2ccccc2O)OCC(CCO)O1.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
The InChIKey is VNPYTUFTDSDPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(16-9-11(17-13)6-7-14)8-10-4-2-3-5-12(10)15/h2-5,11,14-15H,6-9H2,1H3.
What are the key properties of 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol has a molecular weight of 238.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol is sourced from PubChem (CID 117169568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).