(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol

C15H17NOS — CID 102829226

IUPAC(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C15H17NOS/c1-10-13(6-8-18-10)15(17)12-3-4-14-11(9-12)5-7-16(14)2/h3-4,6,8-9,15,17H,5,7H2,1-2H3
InChIKeyQRJLPEWKONFVLH-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.13
Rot. Bonds2

About (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol

(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102829226) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID102829226
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C15H17NOS/c1-10-13(6-8-18-10)15(17)12-3-4-14-11(9-12)5-7-16(14)2/h3-4,6,8-9,15,17H,5,7H2,1-2H3
InChIKeyQRJLPEWKONFVLH-UHFFFAOYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900554
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol (CID 102829226) is (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is QRJLPEWKONFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-13(6-8-18-10)15(17)12-3-4-14-11(9-12)5-7-16(14)2/h3-4,6,8-9,15,17H,5,7H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol?
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 259.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102829226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).