(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol

C26H28O2 — CID 70264367

IUPAC(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2c1
InChIInChI=1S/C26H28O2/c1-3-17-28-26-16-15-24-18-23(13-14-25(24)19-26)22-11-9-21(10-12-22)8-6-4-5-7-20(2)27/h3,6,8-16,18-20,27H,1,4-5,7,17H2,2H3/b8-6+
InChIKeyHBQYMSUOJYGEIX-SOFGYWHQSA-N
MW372.51 g/mol
LogP6.64
Rot. Bonds9

About (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol

(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol (PubChem CID 70264367) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
PubChem CID70264367
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2c1
InChIInChI=1S/C26H28O2/c1-3-17-28-26-16-15-24-18-23(13-14-25(24)19-26)22-11-9-21(10-12-22)8-6-4-5-7-20(2)27/h3,6,8-16,18-20,27H,1,4-5,7,17H2,2H3/b8-6+
InChIKeyHBQYMSUOJYGEIX-SOFGYWHQSA-N
XLogP6.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.64
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-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
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
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
CID 70312016
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260940
3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-7-prop-2-enoxyisoquinoline
CID 70126664

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol (CID 70264367) is (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol is C=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3)ccc2c1.
What is the InChIKey of (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
The InChIKey is HBQYMSUOJYGEIX-SOFGYWHQSA-N. The full InChI is InChI=1S/C26H28O2/c1-3-17-28-26-16-15-24-18-23(13-14-25(24)19-26)22-11-9-21(10-12-22)8-6-4-5-7-20(2)27/h3,6,8-16,18-20,27H,1,4-5,7,17H2,2H3/b8-6+.
What are the key properties of (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol?
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol has a molecular weight of 372.51 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70264367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).