4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol

C20H23NO2 — CID 134549186

IUPAC4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol
SMILESCc1ccc(O)cc1Oc1ccc2c(c1)C1(CCCC1)CN2C
InChIInChI=1S/C20H23NO2/c1-14-5-6-15(22)11-19(14)23-16-7-8-18-17(12-16)20(13-21(18)2)9-3-4-10-20/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3
InChIKeyMLFVSRFGLHRMNQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.75
Rot. Bonds2

About 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol

4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol (PubChem CID 134549186) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol.

Molecular Properties

Compound Name4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol
PubChem CID134549186
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol
SMILESCc1ccc(O)cc1Oc1ccc2c(c1)C1(CCCC1)CN2C
InChIInChI=1S/C20H23NO2/c1-14-5-6-15(22)11-19(14)23-16-7-8-18-17(12-16)20(13-21(18)2)9-3-4-10-20/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3
InChIKeyMLFVSRFGLHRMNQ-UHFFFAOYSA-N
XLogP4.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol?
The IUPAC name of 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol (CID 134549186) is 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol.
What is the SMILES notation for 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol?
The canonical SMILES for 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol is Cc1ccc(O)cc1Oc1ccc2c(c1)C1(CCCC1)CN2C.
What is the InChIKey of 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol?
The InChIKey is MLFVSRFGLHRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-5-6-15(22)11-19(14)23-16-7-8-18-17(12-16)20(13-21(18)2)9-3-4-10-20/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol?
4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol has a molecular weight of 309.41 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol is sourced from PubChem (CID 134549186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).