(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol

C26H26F2O — CID 70260799

IUPAC(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)c(F)c1F
InChIInChI=1S/C26H26F2O/c1-3-7-20-14-15-24(26(28)25(20)27)23-13-12-21-16-19(10-11-22(21)17-23)9-6-4-5-8-18(2)29/h3,6,9-18,29H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyDGEFZMZVDCGTOQ-RMKNXTFCSA-N
MW392.49 g/mol
LogP7.08
Rot. Bonds8

About (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol

(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol (PubChem CID 70260799) has the molecular formula C26H26F2O and a molecular weight of 392.49 g/mol. Its IUPAC name is (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
PubChem CID70260799
Molecular FormulaC26H26F2O
Molecular Weight392.49 g/mol
Exact Mass392.20
IUPAC Name(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)c(F)c1F
InChIInChI=1S/C26H26F2O/c1-3-7-20-14-15-24(26(28)25(20)27)23-13-12-21-16-19(10-11-22(21)17-23)9-6-4-5-8-18(2)29/h3,6,9-18,29H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyDGEFZMZVDCGTOQ-RMKNXTFCSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70262960
(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70263841
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
(E)-7-[3-(3-fluoro-4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263594
(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
CID 70263936
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263996
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038
7-[2,3-difluoro-4-(2-prop-2-enylquinoxalin-6-yl)phenyl]hept-6-en-2-ol
CID 70263046
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
(E)-7-[2-(4-prop-2-enylphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70264319
(E)-7-[4-[5-(3-fluoro-4-prop-2-enylphenyl)pyrimidin-2-yl]phenyl]hept-6-en-2-ol
CID 70260977

Frequently Asked Questions

What is the IUPAC name of (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol (CID 70260799) is (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)c(F)c1F.
What is the InChIKey of (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
The InChIKey is DGEFZMZVDCGTOQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H26F2O/c1-3-7-20-14-15-24(26(28)25(20)27)23-13-12-21-16-19(10-11-22(21)17-23)9-6-4-5-8-18(2)29/h3,6,9-18,29H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol has a molecular weight of 392.49 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70260799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).