4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol

C29H41NO4Si — CID 58676726

IUPAC4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
SMILESCC1=C(COCC[Si](C)(C)C)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C29H41NO4Si/c1-22-26-13-10-24(31)20-28(26)34-29(27(22)21-32-18-19-35(2,3)4)23-8-11-25(12-9-23)33-17-16-30-14-6-5-7-15-30/h8-13,20,29,31H,5-7,14-19,21H2,1-4H3
InChIKeyPAUMCYOKUFGQRG-UHFFFAOYSA-N
MW495.74 g/mol
LogP6.52
Rot. Bonds10

About 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol

4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol (PubChem CID 58676726) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
PubChem CID58676726
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Name4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
SMILESCC1=C(COCC[Si](C)(C)C)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C29H41NO4Si/c1-22-26-13-10-24(31)20-28(26)34-29(27(22)21-32-18-19-35(2,3)4)23-8-11-25(12-9-23)33-17-16-30-14-6-5-7-15-30/h8-13,20,29,31H,5-7,14-19,21H2,1-4H3
InChIKeyPAUMCYOKUFGQRG-UHFFFAOYSA-N
XLogP6.52
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
CID 58676723
4-[(2S)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenol
CID 16656741
1-[2-[4-[(2S)-4,7-dimethyl-3-(4-methylphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine;ethane
CID 143701534
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10141600
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 150942360
(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 161151245
3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochloride
CID 19609528
[4-[(2S)-7-(2,2-dimethylpropanoyloxy)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol;chloride
CID 158866042
8-methylsulfanyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 59804100
3-(2,3-difluoro-4-hydroxyphenyl)-4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-2H-chromen-7-ol
CID 123793948
8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 143084999

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol?
The IUPAC name of 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol (CID 58676726) is 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol.
What is the SMILES notation for 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol?
The canonical SMILES for 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol is CC1=C(COCC[Si](C)(C)C)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21.
What is the InChIKey of 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol?
The InChIKey is PAUMCYOKUFGQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-22-26-13-10-24(31)20-28(26)34-29(27(22)21-32-18-19-35(2,3)4)23-8-11-25(12-9-23)33-17-16-30-14-6-5-7-15-30/h8-13,20,29,31H,5-7,14-19,21H2,1-4H3.
What are the key properties of 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol?
4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol has a molecular weight of 495.74 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol is sourced from PubChem (CID 58676726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).