(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol

C18H20O3 — CID 66787940

IUPAC(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol
SMILESCCC1(c2ccccc2)COC(CO)(c2ccccc2)O1
InChIInChI=1S/C18H20O3/c1-2-17(15-9-5-3-6-10-15)14-20-18(13-19,21-17)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3
InChIKeyLUOQZHHDZFDUMY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.18
Rot. Bonds4

About (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol

(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol (PubChem CID 66787940) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol
PubChem CID66787940
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol
SMILESCCC1(c2ccccc2)COC(CO)(c2ccccc2)O1
InChIInChI=1S/C18H20O3/c1-2-17(15-9-5-3-6-10-15)14-20-18(13-19,21-17)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3
InChIKeyLUOQZHHDZFDUMY-UHFFFAOYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol?
The IUPAC name of (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol (CID 66787940) is (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol is CCC1(c2ccccc2)COC(CO)(c2ccccc2)O1.
What is the InChIKey of (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol?
The InChIKey is LUOQZHHDZFDUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-17(15-9-5-3-6-10-15)14-20-18(13-19,21-17)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3.
What are the key properties of (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol?
(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol is sourced from PubChem (CID 66787940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).