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

C18H17NO2 — CID 114723692

IUPAC1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)c3cc4ccccc4o3)ccc21
InChIInChI=1S/C18H17NO2/c1-19-9-8-12-10-14(6-7-15(12)19)18(20)17-11-13-4-2-3-5-16(13)21-17/h2-7,10-11,18,20H,8-9H2,1H3
InChIKeyGUMUGHSDUQYGNH-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.51
Rot. Bonds2

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

1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 114723692) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID114723692
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)c3cc4ccccc4o3)ccc21
InChIInChI=1S/C18H17NO2/c1-19-9-8-12-10-14(6-7-15(12)19)18(20)17-11-13-4-2-3-5-16(13)21-17/h2-7,10-11,18,20H,8-9H2,1H3
InChIKeyGUMUGHSDUQYGNH-UHFFFAOYSA-N
XLogP3.51
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.51
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

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90582177
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
1-benzofuran-2-yl-(3,4-difluorophenyl)methanol
CID 63089375
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
CID 110744717
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102829226
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 114723692) is 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol is CN1CCc2cc(C(O)c3cc4ccccc4o3)ccc21.
What is the InChIKey of 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is GUMUGHSDUQYGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-9-8-12-10-14(6-7-15(12)19)18(20)17-11-13-4-2-3-5-16(13)21-17/h2-7,10-11,18,20H,8-9H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 279.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 114723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).