1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]

C23H29NO — CID 102283703

IUPAC1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]
SMILESCOc1ccc(CN2CC3(CCCCC3)c3c(C)cc(C)cc32)cc1
InChIInChI=1S/C23H29NO/c1-17-13-18(2)22-21(14-17)24(16-23(22)11-5-4-6-12-23)15-19-7-9-20(25-3)10-8-19/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3
InChIKeyMZQVFKOVPAGCPS-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.53
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]

1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane] (PubChem CID 102283703) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane].

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]
PubChem CID102283703
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]
SMILESCOc1ccc(CN2CC3(CCCCC3)c3c(C)cc(C)cc32)cc1
InChIInChI=1S/C23H29NO/c1-17-13-18(2)22-21(14-17)24(16-23(22)11-5-4-6-12-23)15-19-7-9-20(25-3)10-8-19/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3
InChIKeyMZQVFKOVPAGCPS-UHFFFAOYSA-N
XLogP5.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]
CID 58221657
1',1'-difluoro-1-[(4-methoxyphenyl)methyl]-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-cyclobutane]
CID 172759632
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
5-fluoro-6-(1-fluorocyclopropyl)-2-[(4-methoxyphenyl)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 163371498
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
6-ethenyl-5-fluoro-2-[(4-methoxyphenyl)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 163371729
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
methyl 3-[1-[(4-methoxyphenyl)methylsulfanyl]cyclohexyl]-3-oxo-2-(2,4,6-trimethylphenyl)propanoate
CID 21216920
(3R,3'R)-5-bromo-4-chloro-3'-methoxy-1-[(4-methoxyphenyl)methyl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopentane]
CID 146537961
5-bromo-4-chloro-3'-methoxy-1-[(4-methoxyphenyl)methyl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopentane]
CID 156771800
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane] (CID 102283703) is 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane].
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane] is COc1ccc(CN2CC3(CCCCC3)c3c(C)cc(C)cc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]?
The InChIKey is MZQVFKOVPAGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-17-13-18(2)22-21(14-17)24(16-23(22)11-5-4-6-12-23)15-19-7-9-20(25-3)10-8-19/h7-10,13-14H,4-6,11-12,15-16H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]?
1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane] has a molecular weight of 335.49 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane] is sourced from PubChem (CID 102283703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).