(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol

C25H27NO2 — CID 70265166

IUPAC(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)cn1
InChIInChI=1S/C25H27NO2/c1-3-15-28-25-14-13-24(18-26-25)23-12-11-21-16-20(9-10-22(21)17-23)8-6-4-5-7-19(2)27/h3,6,8-14,16-19,27H,1,4-5,7,15H2,2H3/b8-6+
InChIKeyOESUPKTXXAHERD-SOFGYWHQSA-N
MW373.50 g/mol
LogP6.03
Rot. Bonds9

About (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol

(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol (PubChem CID 70265166) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
PubChem CID70265166
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)cn1
InChIInChI=1S/C25H27NO2/c1-3-15-28-25-14-13-24(18-26-25)23-12-11-21-16-20(9-10-22(21)17-23)8-6-4-5-7-19(2)27/h3,6,8-14,16-19,27H,1,4-5,7,15H2,2H3/b8-6+
InChIKeyOESUPKTXXAHERD-SOFGYWHQSA-N
XLogP6.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
CID 70313141
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
CID 70312016
(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70263664
7-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]hept-6-en-2-ol
CID 70262934
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70262960
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-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol (CID 70265166) is (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)cn1.
What is the InChIKey of (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol?
The InChIKey is OESUPKTXXAHERD-SOFGYWHQSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-15-28-25-14-13-24(18-26-25)23-12-11-21-16-20(9-10-22(21)17-23)8-6-4-5-7-19(2)27/h3,6,8-14,16-19,27H,1,4-5,7,15H2,2H3/b8-6+.
What are the key properties of (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol?
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol has a molecular weight of 373.50 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70265166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).