1-benzyl-3-ethenyl-2-methylindol-4-ol

C18H17NO — CID 174463230

IUPAC1-benzyl-3-ethenyl-2-methylindol-4-ol
SMILESC=Cc1c(C)n(Cc2ccccc2)c2cccc(O)c12
InChIInChI=1S/C18H17NO/c1-3-15-13(2)19(12-14-8-5-4-6-9-14)16-10-7-11-17(20)18(15)16/h3-11,20H,1,12H2,2H3
InChIKeyFYQALIAZVHKCDX-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.35
Rot. Bonds3

About 1-benzyl-3-ethenyl-2-methylindol-4-ol

1-benzyl-3-ethenyl-2-methylindol-4-ol (PubChem CID 174463230) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-3-ethenyl-2-methylindol-4-ol.

Molecular Properties

Compound Name1-benzyl-3-ethenyl-2-methylindol-4-ol
PubChem CID174463230
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-benzyl-3-ethenyl-2-methylindol-4-ol
SMILESC=Cc1c(C)n(Cc2ccccc2)c2cccc(O)c12
InChIInChI=1S/C18H17NO/c1-3-15-13(2)19(12-14-8-5-4-6-9-14)16-10-7-11-17(20)18(15)16/h3-11,20H,1,12H2,2H3
InChIKeyFYQALIAZVHKCDX-UHFFFAOYSA-N
XLogP4.35
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-benzyl-2-methylindole-3-carbaldehyde
CID 89261415
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide
CID 10544294
methyl 3-(1-benzyl-2-methylindol-3-yl)prop-2-enoate
CID 57270880
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
2-(1-benzyl-2-ethyl-4-hydroxyindol-3-yl)-2-oxoacetamide;methyl acetate
CID 174596485
ethyl 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetate
CID 59170400
2-[[3-[(1S,2R)-2-amino-1,2-dihydroxyethyl]-1-benzyl-2-methylindol-4-yl]methyl]-3-methylbutanamide
CID 71194073
(E)-3-(1-benzyl-2-methylindol-3-yl)-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396480
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethenyl-2-methylindol-4-ol?
The IUPAC name of 1-benzyl-3-ethenyl-2-methylindol-4-ol (CID 174463230) is 1-benzyl-3-ethenyl-2-methylindol-4-ol.
What is the SMILES notation for 1-benzyl-3-ethenyl-2-methylindol-4-ol?
The canonical SMILES for 1-benzyl-3-ethenyl-2-methylindol-4-ol is C=Cc1c(C)n(Cc2ccccc2)c2cccc(O)c12.
What is the InChIKey of 1-benzyl-3-ethenyl-2-methylindol-4-ol?
The InChIKey is FYQALIAZVHKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-15-13(2)19(12-14-8-5-4-6-9-14)16-10-7-11-17(20)18(15)16/h3-11,20H,1,12H2,2H3.
What are the key properties of 1-benzyl-3-ethenyl-2-methylindol-4-ol?
1-benzyl-3-ethenyl-2-methylindol-4-ol has a molecular weight of 263.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethenyl-2-methylindol-4-ol is sourced from PubChem (CID 174463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).