1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol

C18H20O3 — CID 100960051

IUPAC1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol
SMILESCC1(c2ccccc2C(C)(O)c2ccccc2)OCCO1
InChIInChI=1S/C18H20O3/c1-17(19,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(2)20-12-13-21-18/h3-11,19H,12-13H2,1-2H3
InChIKeyLXIGBUXLCSSNJS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.16
Rot. Bonds3

About 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol

1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol (PubChem CID 100960051) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol
PubChem CID100960051
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol
SMILESCC1(c2ccccc2C(C)(O)c2ccccc2)OCCO1
InChIInChI=1S/C18H20O3/c1-17(19,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(2)20-12-13-21-18/h3-11,19H,12-13H2,1-2H3
InChIKeyLXIGBUXLCSSNJS-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol?
The IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol (CID 100960051) is 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol.
What is the SMILES notation for 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol?
The canonical SMILES for 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol is CC1(c2ccccc2C(C)(O)c2ccccc2)OCCO1.
What is the InChIKey of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol?
The InChIKey is LXIGBUXLCSSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-17(19,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18(2)20-12-13-21-18/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol?
1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol has a molecular weight of 284.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1-phenylethanol is sourced from PubChem (CID 100960051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).