(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate

C19H18O2 — CID 168800146

IUPAC(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC2(C)CCc3ccccc32)cc1
InChIInChI=1S/C19H18O2/c1-3-14-8-10-16(11-9-14)18(20)21-19(2)13-12-15-6-4-5-7-17(15)19/h3-11H,1,12-13H2,2H3
InChIKeyVJHVEIBWSXHWCX-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.35
Rot. Bonds3

About (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate

(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate (PubChem CID 168800146) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate
PubChem CID168800146
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC2(C)CCc3ccccc32)cc1
InChIInChI=1S/C19H18O2/c1-3-14-8-10-16(11-9-14)18(20)21-19(2)13-12-15-6-4-5-7-17(15)19/h3-11H,1,12-13H2,2H3
InChIKeyVJHVEIBWSXHWCX-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate?
The IUPAC name of (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate (CID 168800146) is (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate.
What is the SMILES notation for (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate?
The canonical SMILES for (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate is C=Cc1ccc(C(=O)OC2(C)CCc3ccccc32)cc1.
What is the InChIKey of (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate?
The InChIKey is VJHVEIBWSXHWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-3-14-8-10-16(11-9-14)18(20)21-19(2)13-12-15-6-4-5-7-17(15)19/h3-11H,1,12-13H2,2H3.
What are the key properties of (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate?
(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate has a molecular weight of 278.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate is sourced from PubChem (CID 168800146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).