(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate

C20H22O2 — CID 101081255

IUPAC(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate
SMILESCC(=O)OC(C=C(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H22O2/c1-15(2)20(22-16(3)21)14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,20H,1-3H3
InChIKeyGWESJKYYYZSDSM-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.71
Rot. Bonds5

About (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate

(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate (PubChem CID 101081255) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate.

Molecular Properties

Compound Name(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate
PubChem CID101081255
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate
SMILESCC(=O)OC(C=C(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H22O2/c1-15(2)20(22-16(3)21)14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,20H,1-3H3
InChIKeyGWESJKYYYZSDSM-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate?
The IUPAC name of (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate (CID 101081255) is (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate.
What is the SMILES notation for (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate?
The canonical SMILES for (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate is CC(=O)OC(C=C(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate?
The InChIKey is GWESJKYYYZSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-15(2)20(22-16(3)21)14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,20H,1-3H3.
What are the key properties of (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate?
(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate has a molecular weight of 294.39 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,1-diphenylpent-1-en-3-yl) acetate is sourced from PubChem (CID 101081255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).