3-butyl-2-methyl-1H-indene

C14H18 — CID 15422807

IUPAC3-butyl-2-methyl-1H-indene
SMILESCCCCC1=C(C)Cc2ccccc21
InChIInChI=1S/C14H18/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)13/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyGAYVKDNOVKPQKM-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.21
Rot. Bonds3

About 3-butyl-2-methyl-1H-indene

3-butyl-2-methyl-1H-indene (PubChem CID 15422807) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-butyl-2-methyl-1H-indene.

Molecular Properties

Compound Name3-butyl-2-methyl-1H-indene
PubChem CID15422807
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name3-butyl-2-methyl-1H-indene
SMILESCCCCC1=C(C)Cc2ccccc21
InChIInChI=1S/C14H18/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)13/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyGAYVKDNOVKPQKM-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-1H-indene?
The IUPAC name of 3-butyl-2-methyl-1H-indene (CID 15422807) is 3-butyl-2-methyl-1H-indene.
What is the SMILES notation for 3-butyl-2-methyl-1H-indene?
The canonical SMILES for 3-butyl-2-methyl-1H-indene is CCCCC1=C(C)Cc2ccccc21.
What is the InChIKey of 3-butyl-2-methyl-1H-indene?
The InChIKey is GAYVKDNOVKPQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)13/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-1H-indene?
3-butyl-2-methyl-1H-indene has a molecular weight of 186.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-1H-indene is sourced from PubChem (CID 15422807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).