3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene

C32H29NO2 — CID 165040105

IUPAC3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene
SMILESC1=Cc2cc(OCc3ccccc3)ccc2C1.Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C16H15NO.C16H14O/c1-12-10-17-16-8-7-14(9-15(12)16)18-11-13-5-3-2-4-6-13;1-2-5-13(6-3-1)12-17-16-10-9-14-7-4-8-15(14)11-16/h2-10,17H,11H2,1H3;1-6,8-11H,7,12H2
InChIKeyNZEXHHDSCSFEES-UHFFFAOYSA-N
MW459.59 g/mol
LogP7.89
Rot. Bonds6

About 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene

3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene (PubChem CID 165040105) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene.

Molecular Properties

Compound Name3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene
PubChem CID165040105
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene
SMILESC1=Cc2cc(OCc3ccccc3)ccc2C1.Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C16H15NO.C16H14O/c1-12-10-17-16-8-7-14(9-15(12)16)18-11-13-5-3-2-4-6-13;1-2-5-13(6-3-1)12-17-16-10-9-14-7-4-8-15(14)11-16/h2-10,17H,11H2,1H3;1-6,8-11H,7,12H2
InChIKeyNZEXHHDSCSFEES-UHFFFAOYSA-N
XLogP7.89
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene 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

5-ethoxy-3-methyl-1H-indole
CID 82490542
6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 20779585
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
CID 90344559
3-methyl-5-phenoxy-1H-indole
CID 82494590
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
3-[3-[4-benzyl-6-[2-(1H-inden-5-yl)ethyl]pyrimidin-2-yl]propyl]-5-methoxy-1H-indole
CID 158983828
N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene?
The IUPAC name of 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene (CID 165040105) is 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene.
What is the SMILES notation for 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene?
The canonical SMILES for 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene is C1=Cc2cc(OCc3ccccc3)ccc2C1.Cc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene?
The InChIKey is NZEXHHDSCSFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.C16H14O/c1-12-10-17-16-8-7-14(9-15(12)16)18-11-13-5-3-2-4-6-13;1-2-5-13(6-3-1)12-17-16-10-9-14-7-4-8-15(14)11-16/h2-10,17H,11H2,1H3;1-6,8-11H,7,12H2.
What are the key properties of 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene?
3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene has a molecular weight of 459.59 g/mol, XLogP of 7.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene is sourced from PubChem (CID 165040105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).