1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole

C18H21NOS — CID 116625768

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
SMILESCCc1ccc(Cn2ccc3cc(OC(C)C)ccc32)s1
InChIInChI=1S/C18H21NOS/c1-4-16-6-7-17(21-16)12-19-10-9-14-11-15(20-13(2)3)5-8-18(14)19/h5-11,13H,4,12H2,1-3H3
InChIKeyOIJAPMIRZGLPEY-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.10
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole

1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole (PubChem CID 116625768) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
PubChem CID116625768
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
SMILESCCc1ccc(Cn2ccc3cc(OC(C)C)ccc32)s1
InChIInChI=1S/C18H21NOS/c1-4-16-6-7-17(21-16)12-19-10-9-14-11-15(20-13(2)3)5-8-18(14)19/h5-11,13H,4,12H2,1-3H3
InChIKeyOIJAPMIRZGLPEY-UHFFFAOYSA-N
XLogP5.10
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
CID 80643678
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
N,N-dimethyl-1-[(5-propan-2-yloxyindol-1-yl)methyl]cyclopropan-1-amine
CID 162388983
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole (CID 116625768) is 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole is CCc1ccc(Cn2ccc3cc(OC(C)C)ccc32)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole?
The InChIKey is OIJAPMIRZGLPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-4-16-6-7-17(21-16)12-19-10-9-14-11-15(20-13(2)3)5-8-18(14)19/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole?
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole has a molecular weight of 299.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole is sourced from PubChem (CID 116625768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).