2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one

C19H18O3 — CID 15318488

IUPAC2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one
SMILESCC1(c2cccc(C3OCCO3)c2)Cc2ccccc2C1=O
InChIInChI=1S/C19H18O3/c1-19(12-14-5-2-3-8-16(14)17(19)20)15-7-4-6-13(11-15)18-21-9-10-22-18/h2-8,11,18H,9-10,12H2,1H3
InChIKeyRSXDLGVQWNSKLH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.43
Rot. Bonds2

About 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one

2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one (PubChem CID 15318488) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one
PubChem CID15318488
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one
SMILESCC1(c2cccc(C3OCCO3)c2)Cc2ccccc2C1=O
InChIInChI=1S/C19H18O3/c1-19(12-14-5-2-3-8-16(14)17(19)20)15-7-4-6-13(11-15)18-21-9-10-22-18/h2-8,11,18H,9-10,12H2,1H3
InChIKeyRSXDLGVQWNSKLH-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
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-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one?
The IUPAC name of 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one (CID 15318488) is 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one is CC1(c2cccc(C3OCCO3)c2)Cc2ccccc2C1=O.
What is the InChIKey of 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one?
The InChIKey is RSXDLGVQWNSKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-19(12-14-5-2-3-8-16(14)17(19)20)15-7-4-6-13(11-15)18-21-9-10-22-18/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one?
2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxolan-2-yl)phenyl]-2-methyl-3H-inden-1-one is sourced from PubChem (CID 15318488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).