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

C26H27FO — CID 70262960

IUPAC7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3c2)cc1F
InChIInChI=1S/C26H27FO/c1-3-7-21-12-13-25(18-26(21)27)24-15-14-22-16-20(10-11-23(22)17-24)9-6-4-5-8-19(2)28/h3,6,9-19,28H,1,4-5,7-8H2,2H3
InChIKeyQYRKAHZXAKXXQS-UHFFFAOYSA-N
MW374.50 g/mol
LogP6.94
Rot. Bonds8

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

7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol (PubChem CID 70262960) has the molecular formula C26H27FO and a molecular weight of 374.50 g/mol. Its IUPAC name is 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
PubChem CID70262960
Molecular FormulaC26H27FO
Molecular Weight374.50 g/mol
Exact Mass374.20
IUPAC Name7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3c2)cc1F
InChIInChI=1S/C26H27FO/c1-3-7-21-12-13-25(18-26(21)27)24-15-14-22-16-20(10-11-23(22)17-24)9-6-4-5-8-19(2)28/h3,6,9-19,28H,1,4-5,7-8H2,2H3
InChIKeyQYRKAHZXAKXXQS-UHFFFAOYSA-N
XLogP6.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.50
LogP ≤ 56.94
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

(E)-7-[3-(3-fluoro-4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263594
(E)-7-[6-(2,3-difluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70260799
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263996
(E)-7-[4-[5-(3-fluoro-4-prop-2-enylphenyl)pyrimidin-2-yl]phenyl]hept-6-en-2-ol
CID 70260977
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166
(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
CID 70263936
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038
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

Frequently Asked Questions

What is the IUPAC name of 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
The IUPAC name of 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol (CID 70262960) is 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol.
What is the SMILES notation for 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
The canonical SMILES for 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3c2)cc1F.
What is the InChIKey of 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
The InChIKey is QYRKAHZXAKXXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO/c1-3-7-21-12-13-25(18-26(21)27)24-15-14-22-16-20(10-11-23(22)17-24)9-6-4-5-8-19(2)28/h3,6,9-19,28H,1,4-5,7-8H2,2H3.
What are the key properties of 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol?
7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol has a molecular weight of 374.50 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70262960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).