[6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C30H37NO4 — CID 24768495

IUPAC[6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1
InChIInChI=1S/C30H37NO4/c1-29(2)28(30(29,3)4)27(32)23-18-31(17-20-11-13-34-14-12-20)24-16-25(33-5)26(15-22(23)24)35-19-21-9-7-6-8-10-21/h6-10,15-16,18,20,28H,11-14,17,19H2,1-5H3
InChIKeyHDUFIFHPLFCYGK-UHFFFAOYSA-N
MW475.63 g/mol
LogP6.52
Rot. Bonds8

About [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768495) has the molecular formula C30H37NO4 and a molecular weight of 475.63 g/mol. Its IUPAC name is [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768495
Molecular FormulaC30H37NO4
Molecular Weight475.63 g/mol
Exact Mass475.27
IUPAC Name[6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1
InChIInChI=1S/C30H37NO4/c1-29(2)28(30(29,3)4)27(32)23-18-31(17-20-11-13-34-14-12-20)24-16-25(33-5)26(15-22(23)24)35-19-21-9-7-6-8-10-21/h6-10,15-16,18,20,28H,11-14,17,19H2,1-5H3
InChIKeyHDUFIFHPLFCYGK-UHFFFAOYSA-N
XLogP6.52
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768495) is [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is COc1cc2c(cc1OCc1ccccc1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1.
What is the InChIKey of [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is HDUFIFHPLFCYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO4/c1-29(2)28(30(29,3)4)27(32)23-18-31(17-20-11-13-34-14-12-20)24-16-25(33-5)26(15-22(23)24)35-19-21-9-7-6-8-10-21/h6-10,15-16,18,20,28H,11-14,17,19H2,1-5H3.
What are the key properties of [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 475.63 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(oxan-4-ylmethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).