2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene

C26H34 — CID 57164602

IUPAC2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene
SMILESCCCC(CC=C(c1ccc(C)cc1)C1Cc2ccccc2C1)CCC
InChIInChI=1S/C26H34/c1-4-8-21(9-5-2)14-17-26(22-15-12-20(3)13-16-22)25-18-23-10-6-7-11-24(23)19-25/h6-7,10-13,15-17,21,25H,4-5,8-9,14,18-19H2,1-3H3
InChIKeyOKRZUTFJFZPBOS-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.40
Rot. Bonds8

About 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene

2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene (PubChem CID 57164602) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene
PubChem CID57164602
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene
SMILESCCCC(CC=C(c1ccc(C)cc1)C1Cc2ccccc2C1)CCC
InChIInChI=1S/C26H34/c1-4-8-21(9-5-2)14-17-26(22-15-12-20(3)13-16-22)25-18-23-10-6-7-11-24(23)19-25/h6-7,10-13,15-17,21,25H,4-5,8-9,14,18-19H2,1-3H3
InChIKeyOKRZUTFJFZPBOS-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene (CID 57164602) is 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene is CCCC(CC=C(c1ccc(C)cc1)C1Cc2ccccc2C1)CCC.
What is the InChIKey of 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene?
The InChIKey is OKRZUTFJFZPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-4-8-21(9-5-2)14-17-26(22-15-12-20(3)13-16-22)25-18-23-10-6-7-11-24(23)19-25/h6-7,10-13,15-17,21,25H,4-5,8-9,14,18-19H2,1-3H3.
What are the key properties of 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene?
2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene has a molecular weight of 346.56 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-4-propylhept-1-enyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 57164602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).