1,7-dimethyl-4-phenylmethoxyindole

C17H17NO — CID 176638062

IUPAC1,7-dimethyl-4-phenylmethoxyindole
SMILESCc1ccc(OCc2ccccc2)c2ccn(C)c12
InChIInChI=1S/C17H17NO/c1-13-8-9-16(15-10-11-18(2)17(13)15)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyUIKONMZGILIECG-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.07
Rot. Bonds3

About 1,7-dimethyl-4-phenylmethoxyindole

1,7-dimethyl-4-phenylmethoxyindole (PubChem CID 176638062) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,7-dimethyl-4-phenylmethoxyindole.

Molecular Properties

Compound Name1,7-dimethyl-4-phenylmethoxyindole
PubChem CID176638062
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1,7-dimethyl-4-phenylmethoxyindole
SMILESCc1ccc(OCc2ccccc2)c2ccn(C)c12
InChIInChI=1S/C17H17NO/c1-13-8-9-16(15-10-11-18(2)17(13)15)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyUIKONMZGILIECG-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

4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
1-ethyl-4-phenylmethoxyindole
CID 24776902
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
1-methyl-4-phenylmethoxyindazole
CID 143030970

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-4-phenylmethoxyindole?
The IUPAC name of 1,7-dimethyl-4-phenylmethoxyindole (CID 176638062) is 1,7-dimethyl-4-phenylmethoxyindole.
What is the SMILES notation for 1,7-dimethyl-4-phenylmethoxyindole?
The canonical SMILES for 1,7-dimethyl-4-phenylmethoxyindole is Cc1ccc(OCc2ccccc2)c2ccn(C)c12.
What is the InChIKey of 1,7-dimethyl-4-phenylmethoxyindole?
The InChIKey is UIKONMZGILIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-8-9-16(15-10-11-18(2)17(13)15)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 1,7-dimethyl-4-phenylmethoxyindole?
1,7-dimethyl-4-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 1,7-dimethyl-4-phenylmethoxyindole is sourced from PubChem (CID 176638062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).