[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol

C16H17NOS — CID 66397807

IUPAC[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
SMILESCCc1ccc(Cn2cc(CO)c3ccccc32)s1
InChIInChI=1S/C16H17NOS/c1-2-13-7-8-14(19-13)10-17-9-12(11-18)15-5-3-4-6-16(15)17/h3-9,18H,2,10-11H2,1H3
InChIKeyXAQCQJJKRIMURD-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.81
Rot. Bonds4

About [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol

[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol (PubChem CID 66397807) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
PubChem CID66397807
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
SMILESCCc1ccc(Cn2cc(CO)c3ccccc32)s1
InChIInChI=1S/C16H17NOS/c1-2-13-7-8-14(19-13)10-17-9-12(11-18)15-5-3-4-6-16(15)17/h3-9,18H,2,10-11H2,1H3
InChIKeyXAQCQJJKRIMURD-UHFFFAOYSA-N
XLogP3.81
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415282
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
CID 112641646
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66397796
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol
CID 66398883
1-[(5-ethylthiophen-2-yl)methyl]indole-4-carboxylic acid
CID 43316617
[1-[(5-methyl-2-pyridinyl)methyl]indol-3-yl]methanol
CID 118617480
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol
CID 66398439
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66399089
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
CID 83173603
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol (CID 66397807) is [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol is CCc1ccc(Cn2cc(CO)c3ccccc32)s1.
What is the InChIKey of [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol?
The InChIKey is XAQCQJJKRIMURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-13-7-8-14(19-13)10-17-9-12(11-18)15-5-3-4-6-16(15)17/h3-9,18H,2,10-11H2,1H3.
What are the key properties of [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol?
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol has a molecular weight of 271.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66397807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).