4-(3-butyl-5-butylsulfanylphenyl)-1H-indene

C23H28S — CID 144839633

IUPAC4-(3-butyl-5-butylsulfanylphenyl)-1H-indene
SMILESCCCCSc1cc(CCCC)cc(-c2cccc3c2C=CC3)c1
InChIInChI=1S/C23H28S/c1-3-5-9-18-15-20(17-21(16-18)24-14-6-4-2)23-13-8-11-19-10-7-12-22(19)23/h7-8,11-13,15-17H,3-6,9-10,14H2,1-2H3
InChIKeyFKBJQOYYRNFZBP-UHFFFAOYSA-N
MW336.54 g/mol
LogP7.16
Rot. Bonds8

About 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene

4-(3-butyl-5-butylsulfanylphenyl)-1H-indene (PubChem CID 144839633) has the molecular formula C23H28S and a molecular weight of 336.54 g/mol. Its IUPAC name is 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene.

Molecular Properties

Compound Name4-(3-butyl-5-butylsulfanylphenyl)-1H-indene
PubChem CID144839633
Molecular FormulaC23H28S
Molecular Weight336.54 g/mol
Exact Mass336.19
IUPAC Name4-(3-butyl-5-butylsulfanylphenyl)-1H-indene
SMILESCCCCSc1cc(CCCC)cc(-c2cccc3c2C=CC3)c1
InChIInChI=1S/C23H28S/c1-3-5-9-18-15-20(17-21(16-18)24-14-6-4-2)23-13-8-11-19-10-7-12-22(19)23/h7-8,11-13,15-17H,3-6,9-10,14H2,1-2H3
InChIKeyFKBJQOYYRNFZBP-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3,5-bis(tridecylsulfanyl)benzene
CID 91029147
4-propyl-1H-indene
CID 18314956
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
18-butylpentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene
CID 160893288
4-butylsulfanyl-2,6-diphenylphenol
CID 66619517
1-butylsulfanyl-4-propylbenzene
CID 139386547
(3-pentylsulfanylphenyl)methanol
CID 66347769
5-octadecyl-1H-indene
CID 90751202
1-ethyl-3,5-bis(hexadecylsulfanyl)benzene
CID 69411388
1-(1H-inden-4-yl)phenanthrene
CID 174767393
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1-hexyl-3-(2-propan-2-ylphenyl)benzene
CID 173321287

Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene?
The IUPAC name of 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene (CID 144839633) is 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene.
What is the SMILES notation for 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene?
The canonical SMILES for 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene is CCCCSc1cc(CCCC)cc(-c2cccc3c2C=CC3)c1.
What is the InChIKey of 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene?
The InChIKey is FKBJQOYYRNFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28S/c1-3-5-9-18-15-20(17-21(16-18)24-14-6-4-2)23-13-8-11-19-10-7-12-22(19)23/h7-8,11-13,15-17H,3-6,9-10,14H2,1-2H3.
What are the key properties of 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene?
4-(3-butyl-5-butylsulfanylphenyl)-1H-indene has a molecular weight of 336.54 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-5-butylsulfanylphenyl)-1H-indene is sourced from PubChem (CID 144839633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).