2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene

C18H20S — CID 173192414

IUPAC2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene
SMILESCC1=Cc2c(cccc2-c2ccc(CC(C)C)s2)C1
InChIInChI=1S/C18H20S/c1-12(2)9-15-7-8-18(19-15)16-6-4-5-14-10-13(3)11-17(14)16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyDAITYBRVFRUKCM-UHFFFAOYSA-N
MW268.43 g/mol
LogP5.57
Rot. Bonds3

About 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene

2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene (PubChem CID 173192414) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene
PubChem CID173192414
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene
SMILESCC1=Cc2c(cccc2-c2ccc(CC(C)C)s2)C1
InChIInChI=1S/C18H20S/c1-12(2)9-15-7-8-18(19-15)16-6-4-5-14-10-13(3)11-17(14)16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyDAITYBRVFRUKCM-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-methyl-1H-indene;zirconium
CID 174371242
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
4-(2-ethylphenyl)-2-(2-methylpropyl)-1H-indene
CID 87905875
2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
CID 169286654
4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene
CID 141003705
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
2-(2-methyl-1H-inden-4-yl)-1,3-thiazole
CID 173192576
4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420453
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
CID 172999052
5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene
CID 87702809

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene?
The IUPAC name of 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene (CID 173192414) is 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene?
The canonical SMILES for 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene is CC1=Cc2c(cccc2-c2ccc(CC(C)C)s2)C1.
What is the InChIKey of 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene?
The InChIKey is DAITYBRVFRUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c1-12(2)9-15-7-8-18(19-15)16-6-4-5-14-10-13(3)11-17(14)16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene?
2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene has a molecular weight of 268.43 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene is sourced from PubChem (CID 173192414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).