Mls002638215

C19H18O2 — CID 223673

IUPAC4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C
InChIInChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3
InChIKeyVAAQGIJITBVELH-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.00
Rot. Bonds2

About Mls002638215

Mls002638215 (PubChem CID 223673) has the molecular formula C19H18O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound NameMls002638215
PubChem CID223673
Molecular FormulaC19H18O2
Molecular Weight278.30 g/mol
Exact Mass278.13
IUPAC Name4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C
InChIInChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3
InChIKeyVAAQGIJITBVELH-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity438

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Mls002638215?
The IUPAC name of Mls002638215 (CID 223673) is 4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for Mls002638215?
The canonical SMILES for Mls002638215 is CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C.
What is the InChIKey of Mls002638215?
The InChIKey is VAAQGIJITBVELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3.
What are the key properties of Mls002638215?
Mls002638215 has a molecular weight of 278.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Mls002638215 is sourced from PubChem (CID 223673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).