2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol

C14H20O4 — CID 117169661

IUPAC2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCOc1ccc(CC2(C)OCC(CCO)O2)cc1
InChIInChI=1S/C14H20O4/c1-14(17-10-13(18-14)7-8-15)9-11-3-5-12(16-2)6-4-11/h3-6,13,15H,7-10H2,1-2H3
InChIKeyZIOQVKLGVYSTOA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol

2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 117169661) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
PubChem CID117169661
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCOc1ccc(CC2(C)OCC(CCO)O2)cc1
InChIInChI=1S/C14H20O4/c1-14(17-10-13(18-14)7-8-15)9-11-3-5-12(16-2)6-4-11/h3-6,13,15H,7-10H2,1-2H3
InChIKeyZIOQVKLGVYSTOA-UHFFFAOYSA-N
XLogP1.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (CID 117169661) is 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is COc1ccc(CC2(C)OCC(CCO)O2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is ZIOQVKLGVYSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(17-10-13(18-14)7-8-15)9-11-3-5-12(16-2)6-4-11/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117169661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).