1H-indol-4-yl-(5-methylthiophen-2-yl)methanol

C14H13NOS — CID 115351831

IUPAC1H-indol-4-yl-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cccc3[nH]ccc23)s1
InChIInChI=1S/C14H13NOS/c1-9-5-6-13(17-9)14(16)11-3-2-4-12-10(11)7-8-15-12/h2-8,14-16H,1H3
InChIKeyFPMUTUWQNXFHON-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.62
Rot. Bonds2

About 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol

1H-indol-4-yl-(5-methylthiophen-2-yl)methanol (PubChem CID 115351831) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name1H-indol-4-yl-(5-methylthiophen-2-yl)methanol
PubChem CID115351831
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1H-indol-4-yl-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cccc3[nH]ccc23)s1
InChIInChI=1S/C14H13NOS/c1-9-5-6-13(17-9)14(16)11-3-2-4-12-10(11)7-8-15-12/h2-8,14-16H,1H3
InChIKeyFPMUTUWQNXFHON-UHFFFAOYSA-N
XLogP3.62
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
CID 115351861
1H-indol-4-yl-(3-methylfuran-2-yl)methanol
CID 113489056
(2-fluorophenyl)-(1H-indol-4-yl)methanol
CID 113292217
(2,6-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351810
(2,3-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351822
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
CID 115351825
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol?
The IUPAC name of 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol (CID 115351831) is 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2cccc3[nH]ccc23)s1.
What is the InChIKey of 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol?
The InChIKey is FPMUTUWQNXFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-5-6-13(17-9)14(16)11-3-2-4-12-10(11)7-8-15-12/h2-8,14-16H,1H3.
What are the key properties of 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol?
1H-indol-4-yl-(5-methylthiophen-2-yl)methanol has a molecular weight of 243.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 115351831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).