2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol

C28H43NO2S — CID 10527843

IUPAC2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol
SMILESCC(C)(CCc1ccc(CCCc2ccc(O)c(C(C)(C)C)c2)s1)CCN1CCOCC1
InChIInChI=1S/C28H43NO2S/c1-27(2,3)25-21-22(9-12-26(25)30)7-6-8-23-10-11-24(32-23)13-14-28(4,5)15-16-29-17-19-31-20-18-29/h9-12,21,30H,6-8,13-20H2,1-5H3
InChIKeyXLVYIXKBKZTXIZ-UHFFFAOYSA-N
MW457.72 g/mol
LogP6.61
Rot. Bonds10

About 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol

2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol (PubChem CID 10527843) has the molecular formula C28H43NO2S and a molecular weight of 457.72 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol
PubChem CID10527843
Molecular FormulaC28H43NO2S
Molecular Weight457.72 g/mol
Exact Mass457.30
IUPAC Name2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol
SMILESCC(C)(CCc1ccc(CCCc2ccc(O)c(C(C)(C)C)c2)s1)CCN1CCOCC1
InChIInChI=1S/C28H43NO2S/c1-27(2,3)25-21-22(9-12-26(25)30)7-6-8-23-10-11-24(32-23)13-14-28(4,5)15-16-29-17-19-31-20-18-29/h9-12,21,30H,6-8,13-20H2,1-5H3
InChIKeyXLVYIXKBKZTXIZ-UHFFFAOYSA-N
XLogP6.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.72
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
CID 10714298
2-tert-butyl-4-pentylphenol
CID 19933254
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
2-tert-butyl-4-(3-methylsulfanylpropyl)phenol
CID 130368676
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol
CID 170866768
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767323
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol?
The IUPAC name of 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol (CID 10527843) is 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol?
The canonical SMILES for 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol is CC(C)(CCc1ccc(CCCc2ccc(O)c(C(C)(C)C)c2)s1)CCN1CCOCC1.
What is the InChIKey of 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol?
The InChIKey is XLVYIXKBKZTXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO2S/c1-27(2,3)25-21-22(9-12-26(25)30)7-6-8-23-10-11-24(32-23)13-14-28(4,5)15-16-29-17-19-31-20-18-29/h9-12,21,30H,6-8,13-20H2,1-5H3.
What are the key properties of 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol?
2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol has a molecular weight of 457.72 g/mol, XLogP of 6.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-[5-(3,3-dimethyl-5-morpholin-4-ylpentyl)thiophen-2-yl]propyl]phenol is sourced from PubChem (CID 10527843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).