2-decyl-7-phenyl-1-benzothiophene

C24H30S — CID 155339155

IUPAC2-decyl-7-phenyl-1-benzothiophene
SMILESCCCCCCCCCCc1cc2cccc(-c3ccccc3)c2s1
InChIInChI=1S/C24H30S/c1-2-3-4-5-6-7-8-12-17-22-19-21-16-13-18-23(24(21)25-22)20-14-10-9-11-15-20/h9-11,13-16,18-19H,2-8,12,17H2,1H3
InChIKeyAJMXSIRKPIXVKP-UHFFFAOYSA-N
MW350.57 g/mol
LogP8.25
Rot. Bonds10

About 2-decyl-7-phenyl-1-benzothiophene

2-decyl-7-phenyl-1-benzothiophene (PubChem CID 155339155) has the molecular formula C24H30S and a molecular weight of 350.57 g/mol. Its IUPAC name is 2-decyl-7-phenyl-1-benzothiophene.

Molecular Properties

Compound Name2-decyl-7-phenyl-1-benzothiophene
PubChem CID155339155
Molecular FormulaC24H30S
Molecular Weight350.57 g/mol
Exact Mass350.21
IUPAC Name2-decyl-7-phenyl-1-benzothiophene
SMILESCCCCCCCCCCc1cc2cccc(-c3ccccc3)c2s1
InChIInChI=1S/C24H30S/c1-2-3-4-5-6-7-8-12-17-22-19-21-16-13-18-23(24(21)25-22)20-14-10-9-11-15-20/h9-11,13-16,18-19H,2-8,12,17H2,1H3
InChIKeyAJMXSIRKPIXVKP-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 58.25
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

5-decyl-14-methyl-4,13-dithiapentacyclo[9.7.0.02,10.03,7.012,16]octadeca-1(11),2(10),3(7),5,8,12(16),14,17-octaene
CID 163431982
9,22-dioctyl-10,13,23,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.07,11.017,25.020,24]hexacosa-1(16),2,4(12),5,7(11),8,14,17(25),18,20(24),21-undecaene
CID 177492412
2-decyl-7-phenyl-[1]benzotellurolo[5,6-f][1]benzothiole
CID 153495193
2-butyl-1-benzothiophene
CID 70061043
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
19-dodecyl-20-thiahexacyclo[12.11.0.02,11.04,9.015,23.017,21]pentacosa-1(14),2,4,6,8,10,12,15,17(21),18,22,24-dodecaene
CID 58411035
4,11-dioctyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 130376551
gold;1-pentyl-2-phenylbenzene
CID 174945702
6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran
CID 24976671
6,17-dioctyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
CID 70836998
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 2-decyl-7-phenyl-1-benzothiophene?
The IUPAC name of 2-decyl-7-phenyl-1-benzothiophene (CID 155339155) is 2-decyl-7-phenyl-1-benzothiophene.
What is the SMILES notation for 2-decyl-7-phenyl-1-benzothiophene?
The canonical SMILES for 2-decyl-7-phenyl-1-benzothiophene is CCCCCCCCCCc1cc2cccc(-c3ccccc3)c2s1.
What is the InChIKey of 2-decyl-7-phenyl-1-benzothiophene?
The InChIKey is AJMXSIRKPIXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30S/c1-2-3-4-5-6-7-8-12-17-22-19-21-16-13-18-23(24(21)25-22)20-14-10-9-11-15-20/h9-11,13-16,18-19H,2-8,12,17H2,1H3.
What are the key properties of 2-decyl-7-phenyl-1-benzothiophene?
2-decyl-7-phenyl-1-benzothiophene has a molecular weight of 350.57 g/mol, XLogP of 8.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-7-phenyl-1-benzothiophene is sourced from PubChem (CID 155339155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).