3-[methoxy-(2-methylphenyl)methyl]-1H-indole

C17H17NO — CID 70574632

IUPAC3-[methoxy-(2-methylphenyl)methyl]-1H-indole
SMILESCOC(c1ccccc1C)c1c[nH]c2ccccc12
InChIInChI=1S/C17H17NO/c1-12-7-3-4-8-13(12)17(19-2)15-11-18-16-10-6-5-9-14(15)16/h3-11,17-18H,1-2H3
InChIKeyLDIDNZUNCFSABA-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.21
Rot. Bonds3

About 3-[methoxy-(2-methylphenyl)methyl]-1H-indole

3-[methoxy-(2-methylphenyl)methyl]-1H-indole (PubChem CID 70574632) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[methoxy-(2-methylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[methoxy-(2-methylphenyl)methyl]-1H-indole
PubChem CID70574632
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[methoxy-(2-methylphenyl)methyl]-1H-indole
SMILESCOC(c1ccccc1C)c1c[nH]c2ccccc12
InChIInChI=1S/C17H17NO/c1-12-7-3-4-8-13(12)17(19-2)15-11-18-16-10-6-5-9-14(15)16/h3-11,17-18H,1-2H3
InChIKeyLDIDNZUNCFSABA-UHFFFAOYSA-N
XLogP4.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[chloro(methoxy)methyl]-1H-indole
CID 67187607
2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile
CID 177391773
3-propan-2-yl-1H-indole
CID 12534824
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
3-[phenyl(trityloxy)methyl]-1H-indole
CID 134974543
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
CID 7061229

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-(2-methylphenyl)methyl]-1H-indole?
The IUPAC name of 3-[methoxy-(2-methylphenyl)methyl]-1H-indole (CID 70574632) is 3-[methoxy-(2-methylphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[methoxy-(2-methylphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[methoxy-(2-methylphenyl)methyl]-1H-indole is COC(c1ccccc1C)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[methoxy-(2-methylphenyl)methyl]-1H-indole?
The InChIKey is LDIDNZUNCFSABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-7-3-4-8-13(12)17(19-2)15-11-18-16-10-6-5-9-14(15)16/h3-11,17-18H,1-2H3.
What are the key properties of 3-[methoxy-(2-methylphenyl)methyl]-1H-indole?
3-[methoxy-(2-methylphenyl)methyl]-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-(2-methylphenyl)methyl]-1H-indole is sourced from PubChem (CID 70574632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).