5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene

C23H26S — CID 153376939

IUPAC5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
SMILESC=C(C)c1c(C)sc2c1CC(C(C)C1=Cc3ccccc3C1)CC2
InChIInChI=1S/C23H26S/c1-14(2)23-16(4)24-22-10-9-17(13-21(22)23)15(3)20-11-18-7-5-6-8-19(18)12-20/h5-8,11,15,17H,1,9-10,12-13H2,2-4H3
InChIKeyCXXQSCAJDRHYRQ-UHFFFAOYSA-N
MW334.53 g/mol
LogP6.47
Rot. Bonds3

About 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene

5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene (PubChem CID 153376939) has the molecular formula C23H26S and a molecular weight of 334.53 g/mol. Its IUPAC name is 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene.

Molecular Properties

Compound Name5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
PubChem CID153376939
Molecular FormulaC23H26S
Molecular Weight334.53 g/mol
Exact Mass334.18
IUPAC Name5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
SMILESC=C(C)c1c(C)sc2c1CC(C(C)C1=Cc3ccccc3C1)CC2
InChIInChI=1S/C23H26S/c1-14(2)23-16(4)24-22-10-9-17(13-21(22)23)15(3)20-11-18-7-5-6-8-19(18)12-20/h5-8,11,15,17H,1,9-10,12-13H2,2-4H3
InChIKeyCXXQSCAJDRHYRQ-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene with MolForge

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Related Compounds

3-(1-cyclohexylethyl)-1,2-dihydronaphthalene
CID 20793781
2-propan-2-yl-1H-indene;toluene
CID 161490529
6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
CID 131993769
1-[1-(1H-inden-2-yl)ethyl]-2-phenyl-1H-indene;zirconium(2+);dichloride
CID 175590654
ethane;2-methyl-1H-indene
CID 54388135
2,2-di(propan-2-yl)-1,3-dithiolane;2-(1H-inden-2-yl)propanedioic acid
CID 88641629
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-(1H-inden-2-yl)butanoate
CID 23033096
2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 141149679
N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine
CID 146284401
1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105460931

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
The IUPAC name of 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene (CID 153376939) is 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene.
What is the SMILES notation for 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
The canonical SMILES for 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene is C=C(C)c1c(C)sc2c1CC(C(C)C1=Cc3ccccc3C1)CC2.
What is the InChIKey of 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
The InChIKey is CXXQSCAJDRHYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26S/c1-14(2)23-16(4)24-22-10-9-17(13-21(22)23)15(3)20-11-18-7-5-6-8-19(18)12-20/h5-8,11,15,17H,1,9-10,12-13H2,2-4H3.
What are the key properties of 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene has a molecular weight of 334.53 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-inden-2-yl)ethyl]-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene is sourced from PubChem (CID 153376939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).