1,3-dimethyl-5-phenylmethoxyindole

C17H17NO — CID 23383486

IUPAC1,3-dimethyl-5-phenylmethoxyindole
SMILESCc1cn(C)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H17NO/c1-13-11-18(2)17-9-8-15(10-16(13)17)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyMLMJCTXTPVEWNN-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.07
Rot. Bonds3

About 1,3-dimethyl-5-phenylmethoxyindole

1,3-dimethyl-5-phenylmethoxyindole (PubChem CID 23383486) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenylmethoxyindole.

Molecular Properties

Compound Name1,3-dimethyl-5-phenylmethoxyindole
PubChem CID23383486
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1,3-dimethyl-5-phenylmethoxyindole
SMILESCc1cn(C)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H17NO/c1-13-11-18(2)17-9-8-15(10-16(13)17)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyMLMJCTXTPVEWNN-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol
CID 67672264
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
1-methyl-4-phenylmethoxypyrrol-2-ol
CID 134892520
1-methyl-4-phenylmethoxypyrazole
CID 84661432
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenylmethoxyindole?
The IUPAC name of 1,3-dimethyl-5-phenylmethoxyindole (CID 23383486) is 1,3-dimethyl-5-phenylmethoxyindole.
What is the SMILES notation for 1,3-dimethyl-5-phenylmethoxyindole?
The canonical SMILES for 1,3-dimethyl-5-phenylmethoxyindole is Cc1cn(C)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1,3-dimethyl-5-phenylmethoxyindole?
The InChIKey is MLMJCTXTPVEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-11-18(2)17-9-8-15(10-16(13)17)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenylmethoxyindole?
1,3-dimethyl-5-phenylmethoxyindole has a molecular weight of 251.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenylmethoxyindole is sourced from PubChem (CID 23383486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).