1-(4-butylphenyl)-1H-indene

C19H20 — CID 159304523

IUPAC1-(4-butylphenyl)-1H-indene
SMILESCCCCc1ccc(C2C=Cc3ccccc32)cc1
InChIInChI=1S/C19H20/c1-2-3-6-15-9-11-17(12-10-15)19-14-13-16-7-4-5-8-18(16)19/h4-5,7-14,19H,2-3,6H2,1H3
InChIKeyLBTDKKOQSJFQKH-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-butylphenyl)-1H-indene

1-(4-butylphenyl)-1H-indene (PubChem CID 159304523) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1H-indene.

Molecular Properties

Compound Name1-(4-butylphenyl)-1H-indene
PubChem CID159304523
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-(4-butylphenyl)-1H-indene
SMILESCCCCc1ccc(C2C=Cc3ccccc32)cc1
InChIInChI=1S/C19H20/c1-2-3-6-15-9-11-17(12-10-15)19-14-13-16-7-4-5-8-18(16)19/h4-5,7-14,19H,2-3,6H2,1H3
InChIKeyLBTDKKOQSJFQKH-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-phenyl-1H-indene
CID 86309914
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-butyl-4-phenylbenzene;ethane
CID 143743409
hexyl-tris(1H-inden-1-yl)silane
CID 10837596
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
CID 162143943
CID 162143943
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
butylbenzene;propylbenzene
CID 142022125
(1R)-2-(4-pentylbenzoyl)-1H-isoquinoline-1-carbonitrile
CID 40549613
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1H-indene?
The IUPAC name of 1-(4-butylphenyl)-1H-indene (CID 159304523) is 1-(4-butylphenyl)-1H-indene.
What is the SMILES notation for 1-(4-butylphenyl)-1H-indene?
The canonical SMILES for 1-(4-butylphenyl)-1H-indene is CCCCc1ccc(C2C=Cc3ccccc32)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1H-indene?
The InChIKey is LBTDKKOQSJFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-2-3-6-15-9-11-17(12-10-15)19-14-13-16-7-4-5-8-18(16)19/h4-5,7-14,19H,2-3,6H2,1H3.
What are the key properties of 1-(4-butylphenyl)-1H-indene?
1-(4-butylphenyl)-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1H-indene is sourced from PubChem (CID 159304523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).