(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol

C25H27NO — CID 70263664

IUPAC(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)nc3)ccc2c1
InChIInChI=1S/C25H27NO/c1-3-7-20-10-11-22-17-23(13-12-21(22)16-20)24-14-15-25(26-18-24)9-6-4-5-8-19(2)27/h3,6,9-19,27H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyBLLLIGLEPRYFLA-RMKNXTFCSA-N
MW357.50 g/mol
LogP6.19
Rot. Bonds8

About (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol

(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol (PubChem CID 70263664) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
PubChem CID70263664
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)nc3)ccc2c1
InChIInChI=1S/C25H27NO/c1-3-7-20-10-11-22-17-23(13-12-21(22)16-20)24-14-15-25(26-18-24)9-6-4-5-8-19(2)27/h3,6,9-19,27H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyBLLLIGLEPRYFLA-RMKNXTFCSA-N
XLogP6.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.19
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-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
CID 70260964
7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
CID 70263255
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
(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-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038
(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70263794
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166
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

Frequently Asked Questions

What is the IUPAC name of (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol (CID 70263664) is (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol is C=CCc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)nc3)ccc2c1.
What is the InChIKey of (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol?
The InChIKey is BLLLIGLEPRYFLA-RMKNXTFCSA-N. The full InChI is InChI=1S/C25H27NO/c1-3-7-20-10-11-22-17-23(13-12-21(22)16-20)24-14-15-25(26-18-24)9-6-4-5-8-19(2)27/h3,6,9-19,27H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol?
(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol has a molecular weight of 357.50 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol is sourced from PubChem (CID 70263664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).