(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol

C18H20O3 — CID 59444461

IUPAC(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
SMILESCCC1COC(c2ccccc2)(C(O)c2ccccc2)O1
InChIInChI=1S/C18H20O3/c1-2-16-13-20-18(21-16,15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16-17,19H,2,13H2,1H3
InChIKeyXCESGYOCSCGYED-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds4

About (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol

(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol (PubChem CID 59444461) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
PubChem CID59444461
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
SMILESCCC1COC(c2ccccc2)(C(O)c2ccccc2)O1
InChIInChI=1S/C18H20O3/c1-2-16-13-20-18(21-16,15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16-17,19H,2,13H2,1H3
InChIKeyXCESGYOCSCGYED-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol?
The IUPAC name of (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol (CID 59444461) is (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol.
What is the SMILES notation for (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol?
The canonical SMILES for (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol is CCC1COC(c2ccccc2)(C(O)c2ccccc2)O1.
What is the InChIKey of (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol?
The InChIKey is XCESGYOCSCGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-16-13-20-18(21-16,15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16-17,19H,2,13H2,1H3.
What are the key properties of (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol?
(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol has a molecular weight of 284.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol is sourced from PubChem (CID 59444461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).