3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole

C18H26NO3P — CID 102576513

IUPAC3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole
SMILESCOP(=O)(OC)C(c1c(C)[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H26NO3P/c1-13-17(15-11-7-8-12-16(15)19-13)18(23(20,21-2)22-3)14-9-5-4-6-10-14/h7-8,11-12,14,18-19H,4-6,9-10H2,1-3H3
InChIKeyIQYPGSHVDIQINW-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.58
Rot. Bonds5

About 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole

3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole (PubChem CID 102576513) has the molecular formula C18H26NO3P and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole
PubChem CID102576513
Molecular FormulaC18H26NO3P
Molecular Weight335.38 g/mol
Exact Mass335.17
IUPAC Name3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole
SMILESCOP(=O)(OC)C(c1c(C)[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H26NO3P/c1-13-17(15-11-7-8-12-16(15)19-13)18(23(20,21-2)22-3)14-9-5-4-6-10-14/h7-8,11-12,14,18-19H,4-6,9-10H2,1-3H3
InChIKeyIQYPGSHVDIQINW-UHFFFAOYSA-N
XLogP5.58
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
CID 102450410
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951
dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82300707
(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43146530
(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 64868312
2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
3-[(S)-(4-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]-2-methyl-1H-indole
CID 6922720
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116950622

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole (CID 102576513) is 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole is COP(=O)(OC)C(c1c(C)[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole?
The InChIKey is IQYPGSHVDIQINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26NO3P/c1-13-17(15-11-7-8-12-16(15)19-13)18(23(20,21-2)22-3)14-9-5-4-6-10-14/h7-8,11-12,14,18-19H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole?
3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole has a molecular weight of 335.38 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(dimethoxyphosphoryl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 102576513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).