1-benzyl-2-ethenyl-5-methoxyindole

C18H17NO — CID 139256269

IUPAC1-benzyl-2-ethenyl-5-methoxyindole
SMILESC=Cc1cc2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H17NO/c1-3-16-11-15-12-17(20-2)9-10-18(15)19(16)13-14-7-5-4-6-8-14/h3-12H,1,13H2,2H3
InChIKeyLDKSASGXWRAHKM-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.34
Rot. Bonds4

About 1-benzyl-2-ethenyl-5-methoxyindole

1-benzyl-2-ethenyl-5-methoxyindole (PubChem CID 139256269) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-2-ethenyl-5-methoxyindole.

Molecular Properties

Compound Name1-benzyl-2-ethenyl-5-methoxyindole
PubChem CID139256269
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-benzyl-2-ethenyl-5-methoxyindole
SMILESC=Cc1cc2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H17NO/c1-3-16-11-15-12-17(20-2)9-10-18(15)19(16)13-14-7-5-4-6-8-14/h3-12H,1,13H2,2H3
InChIKeyLDKSASGXWRAHKM-UHFFFAOYSA-N
XLogP4.34
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-ethenyl-5-methoxyindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
2-[(1-benzyl-5-phenylmethoxyindol-2-yl)methylideneamino]oxyacetic acid
CID 91403560
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
3-[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoic acid
CID 70032868
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol
CID 59762275
1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
CID 134907072

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethenyl-5-methoxyindole?
The IUPAC name of 1-benzyl-2-ethenyl-5-methoxyindole (CID 139256269) is 1-benzyl-2-ethenyl-5-methoxyindole.
What is the SMILES notation for 1-benzyl-2-ethenyl-5-methoxyindole?
The canonical SMILES for 1-benzyl-2-ethenyl-5-methoxyindole is C=Cc1cc2cc(OC)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethenyl-5-methoxyindole?
The InChIKey is LDKSASGXWRAHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-16-11-15-12-17(20-2)9-10-18(15)19(16)13-14-7-5-4-6-8-14/h3-12H,1,13H2,2H3.
What are the key properties of 1-benzyl-2-ethenyl-5-methoxyindole?
1-benzyl-2-ethenyl-5-methoxyindole has a molecular weight of 263.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethenyl-5-methoxyindole is sourced from PubChem (CID 139256269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).