1-[(3-methoxyphenyl)methyl]-7-methylindole

C17H17NO — CID 123473530

IUPAC1-[(3-methoxyphenyl)methyl]-7-methylindole
SMILESCOc1cccc(Cn2ccc3cccc(C)c32)c1
InChIInChI=1S/C17H17NO/c1-13-5-3-7-15-9-10-18(17(13)15)12-14-6-4-8-16(11-14)19-2/h3-11H,12H2,1-2H3
InChIKeyOMDVHRBESOKELM-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.01
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-7-methylindole

1-[(3-methoxyphenyl)methyl]-7-methylindole (PubChem CID 123473530) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-7-methylindole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-7-methylindole
PubChem CID123473530
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-[(3-methoxyphenyl)methyl]-7-methylindole
SMILESCOc1cccc(Cn2ccc3cccc(C)c32)c1
InChIInChI=1S/C17H17NO/c1-13-5-3-7-15-9-10-18(17(13)15)12-14-6-4-8-16(11-14)19-2/h3-11H,12H2,1-2H3
InChIKeyOMDVHRBESOKELM-UHFFFAOYSA-N
XLogP4.01
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
1-(1H-indol-6-ylmethyl)-7-methylindole
CID 167165150
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
CID 95857740
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
3-[4-[[4-[(7-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159869
5-methoxy-1-[(3-nitrophenyl)methyl]indole
CID 116619348
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-7-methylindole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-7-methylindole (CID 123473530) is 1-[(3-methoxyphenyl)methyl]-7-methylindole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-7-methylindole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-7-methylindole is COc1cccc(Cn2ccc3cccc(C)c32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-7-methylindole?
The InChIKey is OMDVHRBESOKELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-5-3-7-15-9-10-18(17(13)15)12-14-6-4-8-16(11-14)19-2/h3-11H,12H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-7-methylindole?
1-[(3-methoxyphenyl)methyl]-7-methylindole has a molecular weight of 251.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-7-methylindole is sourced from PubChem (CID 123473530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).