(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol

C22H22O — CID 100942786

IUPAC(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol
SMILESC=CC1(C(O)(/C=C/c2ccccc2)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H22O/c1-2-21(17-18-21)22(23,15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h2-16,23H,1,17-18H2/b15-13+,16-14+
InChIKeyLGPAKTQRYOFQSF-WXUKJITCSA-N
MW302.42 g/mol
LogP5.11
Rot. Bonds6

About (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol

(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol (PubChem CID 100942786) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol
PubChem CID100942786
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol
SMILESC=CC1(C(O)(/C=C/c2ccccc2)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H22O/c1-2-21(17-18-21)22(23,15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h2-16,23H,1,17-18H2/b15-13+,16-14+
InChIKeyLGPAKTQRYOFQSF-WXUKJITCSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
1-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]cyclohexan-1-ol
CID 102581061
(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
CID 89384206
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
CID 173322831
2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 71360876
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807
(E)-2-ethenyl-2-methyl-4-phenylbut-3-enoic acid
CID 13110783
CID 70569152
CID 70569152
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol?
The IUPAC name of (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol (CID 100942786) is (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol.
What is the SMILES notation for (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol?
The canonical SMILES for (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol is C=CC1(C(O)(/C=C/c2ccccc2)/C=C/c2ccccc2)CC1.
What is the InChIKey of (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol?
The InChIKey is LGPAKTQRYOFQSF-WXUKJITCSA-N. The full InChI is InChI=1S/C22H22O/c1-2-21(17-18-21)22(23,15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h2-16,23H,1,17-18H2/b15-13+,16-14+.
What are the key properties of (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol?
(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol has a molecular weight of 302.42 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol is sourced from PubChem (CID 100942786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).