(2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate

C20H18O3 — CID 15183784

IUPAC(2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate
SMILESCC(=O)OC1CC(c2ccccc2)(c2ccccc2)C=CC1=O
InChIInChI=1S/C20H18O3/c1-15(21)23-19-14-20(13-12-18(19)22,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3
InChIKeyDXGBQVZTBBMVNC-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.43
Rot. Bonds3

About (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate

(2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate (PubChem CID 15183784) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate.

Molecular Properties

Compound Name(2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate
PubChem CID15183784
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate
SMILESCC(=O)OC1CC(c2ccccc2)(c2ccccc2)C=CC1=O
InChIInChI=1S/C20H18O3/c1-15(21)23-19-14-20(13-12-18(19)22,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3
InChIKeyDXGBQVZTBBMVNC-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate?
The IUPAC name of (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate (CID 15183784) is (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate.
What is the SMILES notation for (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate?
The canonical SMILES for (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate is CC(=O)OC1CC(c2ccccc2)(c2ccccc2)C=CC1=O.
What is the InChIKey of (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate?
The InChIKey is DXGBQVZTBBMVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-15(21)23-19-14-20(13-12-18(19)22,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3.
What are the key properties of (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate?
(2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate has a molecular weight of 306.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5,5-diphenylcyclohex-3-en-1-yl) acetate is sourced from PubChem (CID 15183784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).