1-(cyclopropylmethoxymethyl)-2-phenylindole

C19H19NO — CID 106931089

IUPAC1-(cyclopropylmethoxymethyl)-2-phenylindole
SMILESc1ccc(-c2cc3ccccc3n2COCC2CC2)cc1
InChIInChI=1S/C19H19NO/c1-2-6-16(7-3-1)19-12-17-8-4-5-9-18(17)20(19)14-21-13-15-10-11-15/h1-9,12,15H,10-11,13-14H2
InChIKeyIACAGSWNAJGZBO-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.69
Rot. Bonds5

About 1-(cyclopropylmethoxymethyl)-2-phenylindole

1-(cyclopropylmethoxymethyl)-2-phenylindole (PubChem CID 106931089) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-2-phenylindole.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-2-phenylindole
PubChem CID106931089
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-(cyclopropylmethoxymethyl)-2-phenylindole
SMILESc1ccc(-c2cc3ccccc3n2COCC2CC2)cc1
InChIInChI=1S/C19H19NO/c1-2-6-16(7-3-1)19-12-17-8-4-5-9-18(17)20(19)14-21-13-15-10-11-15/h1-9,12,15H,10-11,13-14H2
InChIKeyIACAGSWNAJGZBO-UHFFFAOYSA-N
XLogP4.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(E)-3-chloroprop-2-enyl]-2-phenylindole
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(2-oxooxolan-3-yl) 2-(2-phenylindol-1-yl)acetate
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1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740
N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline
CID 27162350
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-phenylindole
CID 4680797
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
N-methyl-N-(oxolan-3-yl)-2-(2-phenylindol-1-yl)acetamide
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benzene;1-methyl-2-phenylindole
CID 158316839

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-2-phenylindole?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-2-phenylindole (CID 106931089) is 1-(cyclopropylmethoxymethyl)-2-phenylindole.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-2-phenylindole?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-2-phenylindole is c1ccc(-c2cc3ccccc3n2COCC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-2-phenylindole?
The InChIKey is IACAGSWNAJGZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-6-16(7-3-1)19-12-17-8-4-5-9-18(17)20(19)14-21-13-15-10-11-15/h1-9,12,15H,10-11,13-14H2.
What are the key properties of 1-(cyclopropylmethoxymethyl)-2-phenylindole?
1-(cyclopropylmethoxymethyl)-2-phenylindole has a molecular weight of 277.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-2-phenylindole is sourced from PubChem (CID 106931089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).