[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C22H29NO — CID 22004914

IUPAC[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C22H29NO/c1-6-7-13-18-20(17-11-9-8-10-12-17)19(14-24)22(16(4)5)23-21(18)15(2)3/h7-13,15-16,24H,6,14H2,1-5H3/b13-7+
InChIKeyDCDDRTFOSDNAQA-NTUHNPAUSA-N
MW323.48 g/mol
LogP5.91
Rot. Bonds6

About [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22004914) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22004914
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C22H29NO/c1-6-7-13-18-20(17-11-9-8-10-12-17)19(14-24)22(16(4)5)23-21(18)15(2)3/h7-13,15-16,24H,6,14H2,1-5H3/b13-7+
InChIKeyDCDDRTFOSDNAQA-NTUHNPAUSA-N
XLogP5.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005039
[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-thiophen-3-yl-3-pyridinyl]methanol
CID 22005277
[4-(3,4-dichlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005272
[4-(4-fluorophenyl)-2-methyl-5-[(E)-pent-1-enyl]-6-propan-2-yl-3-pyridinyl]methanol
CID 22004996
[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 20647537
sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 45038876
[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 15125318
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
[4-(2-fluorophenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]methanol;7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 67483587
5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471309
methyl (E)-5-hydroxy-7-[5-[(E)-3-hydroxy-7-methoxy-5,7-dioxohept-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3-oxohept-6-enoate
CID 67734688
(3-carboxy-2-hydroxypropyl)-[3-[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]prop-2-enoxy]-oxophosphanium
CID 67735810

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22004914) is [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1.
What is the InChIKey of [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is DCDDRTFOSDNAQA-NTUHNPAUSA-N. The full InChI is InChI=1S/C22H29NO/c1-6-7-13-18-20(17-11-9-8-10-12-17)19(14-24)22(16(4)5)23-21(18)15(2)3/h7-13,15-16,24H,6,14H2,1-5H3/b13-7+.
What are the key properties of [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 323.48 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22004914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).