[4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol

C26H33NO — CID 144659945

IUPAC[4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol
SMILESC=Cc1c(/C=C\C)ccc(Cc2cc(C(C)(C)C)ccc2CO)c1/C=C\NC
InChIInChI=1S/C26H33NO/c1-7-9-19-10-11-20(25(14-15-27-6)24(19)8-2)16-22-17-23(26(3,4)5)13-12-21(22)18-28/h7-15,17,27-28H,2,16,18H2,1,3-6H3/b9-7-,15-14-
InChIKeyOJFLBAVZTKJCDI-XVPLPUPOSA-N
MW375.56 g/mol
LogP5.93
Rot. Bonds7

About [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol

[4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol (PubChem CID 144659945) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol
PubChem CID144659945
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC Name[4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol
SMILESC=Cc1c(/C=C\C)ccc(Cc2cc(C(C)(C)C)ccc2CO)c1/C=C\NC
InChIInChI=1S/C26H33NO/c1-7-9-19-10-11-20(25(14-15-27-6)24(19)8-2)16-22-17-23(26(3,4)5)13-12-21(22)18-28/h7-15,17,27-28H,2,16,18H2,1,3-6H3/b9-7-,15-14-
InChIKeyOJFLBAVZTKJCDI-XVPLPUPOSA-N
XLogP5.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol?
The IUPAC name of [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol (CID 144659945) is [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol is C=Cc1c(/C=C\C)ccc(Cc2cc(C(C)(C)C)ccc2CO)c1/C=C\NC.
What is the InChIKey of [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol?
The InChIKey is OJFLBAVZTKJCDI-XVPLPUPOSA-N. The full InChI is InChI=1S/C26H33NO/c1-7-9-19-10-11-20(25(14-15-27-6)24(19)8-2)16-22-17-23(26(3,4)5)13-12-21(22)18-28/h7-15,17,27-28H,2,16,18H2,1,3-6H3/b9-7-,15-14-.
What are the key properties of [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol?
[4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol has a molecular weight of 375.56 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]-4-[(Z)-prop-1-enyl]phenyl]methyl]phenyl]methanol is sourced from PubChem (CID 144659945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).