7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol

C27H29NO — CID 70263352

IUPAC7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cn3)cc2)cc1
InChIInChI=1S/C27H29NO/c1-3-7-22-10-13-24(14-11-22)25-15-17-26(18-16-25)27-19-12-23(20-28-27)9-6-4-5-8-21(2)29/h3,6,9-21,29H,1,4-5,7-8H2,2H3
InChIKeyJAFYUXQMSNEMPT-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.71
Rot. Bonds9

About 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol

7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol (PubChem CID 70263352) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
PubChem CID70263352
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cn3)cc2)cc1
InChIInChI=1S/C27H29NO/c1-3-7-22-10-13-24(14-11-22)25-15-17-26(18-16-25)27-19-12-23(20-28-27)9-6-4-5-8-21(2)29/h3,6,9-21,29H,1,4-5,7-8H2,2H3
InChIKeyJAFYUXQMSNEMPT-UHFFFAOYSA-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

7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263996
(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol
CID 70263354
(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
CID 70260964

Frequently Asked Questions

What is the IUPAC name of 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
The IUPAC name of 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol (CID 70263352) is 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
The canonical SMILES for 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cn3)cc2)cc1.
What is the InChIKey of 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
The InChIKey is JAFYUXQMSNEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-3-7-22-10-13-24(14-11-22)25-15-17-26(18-16-25)27-19-12-23(20-28-27)9-6-4-5-8-21(2)29/h3,6,9-21,29H,1,4-5,7-8H2,2H3.
What are the key properties of 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-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 7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol is sourced from PubChem (CID 70263352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).