(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol

C27H29NO — CID 70260964

IUPAC(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)nc3)cc2)cc1
InChIInChI=1S/C27H29NO/c1-3-7-22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-19-27(28-20-26)9-6-4-5-8-21(2)29/h3,6,9-21,29H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyHJTNNXMGRUZENM-RMKNXTFCSA-N
MW383.54 g/mol
LogP6.71
Rot. Bonds9

About (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol

(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol (PubChem CID 70260964) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
PubChem CID70260964
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)nc3)cc2)cc1
InChIInChI=1S/C27H29NO/c1-3-7-22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-19-27(28-20-26)9-6-4-5-8-21(2)29/h3,6,9-21,29H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyHJTNNXMGRUZENM-RMKNXTFCSA-N
XLogP6.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70263664
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498
(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol
CID 70263354
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
CID 70263255
7-[4-[4-(6-prop-2-enyl-3-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263140
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038

Frequently Asked Questions

What is the IUPAC name of (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol (CID 70260964) is (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)nc3)cc2)cc1.
What is the InChIKey of (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol?
The InChIKey is HJTNNXMGRUZENM-RMKNXTFCSA-N. The full InChI is InChI=1S/C27H29NO/c1-3-7-22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-19-27(28-20-26)9-6-4-5-8-21(2)29/h3,6,9-21,29H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol?
(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol has a molecular weight of 383.54 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol is sourced from PubChem (CID 70260964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).