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

C27H28FNO — CID 70263996

IUPAC7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cn3)cc2)cc1F
InChIInChI=1S/C27H28FNO/c1-3-7-23-13-16-25(18-26(23)28)22-11-14-24(15-12-22)27-17-10-21(19-29-27)9-6-4-5-8-20(2)30/h3,6,9-20,30H,1,4-5,7-8H2,2H3
InChIKeyUSJPTLLANRDZBD-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.85
Rot. Bonds9

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

7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol (PubChem CID 70263996) has the molecular formula C27H28FNO and a molecular weight of 401.53 g/mol. Its IUPAC name is 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
PubChem CID70263996
Molecular FormulaC27H28FNO
Molecular Weight401.53 g/mol
Exact Mass401.22
IUPAC Name7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cn3)cc2)cc1F
InChIInChI=1S/C27H28FNO/c1-3-7-23-13-16-25(18-26(23)28)22-11-14-24(15-12-22)27-17-10-21(19-29-27)9-6-4-5-8-20(2)30/h3,6,9-20,30H,1,4-5,7-8H2,2H3
InChIKeyUSJPTLLANRDZBD-UHFFFAOYSA-N
XLogP6.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.85
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-[4-[5-(3-fluoro-4-prop-2-enylphenyl)pyrimidin-2-yl]phenyl]hept-6-en-2-ol
CID 70260977
(E)-7-[3-(3-fluoro-4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263594
7-[6-(3-fluoro-4-prop-2-enylphenyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70262960
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70263841
2-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-5-[(E)-6-pentoxyhept-1-enyl]pyridine
CID 70260749
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[2-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70262711
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832

Frequently Asked Questions

What is the IUPAC name of 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
The IUPAC name of 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol (CID 70263996) is 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
The canonical SMILES for 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol is C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cn3)cc2)cc1F.
What is the InChIKey of 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
The InChIKey is USJPTLLANRDZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO/c1-3-7-23-13-16-25(18-26(23)28)22-11-14-24(15-12-22)27-17-10-21(19-29-27)9-6-4-5-8-20(2)30/h3,6,9-20,30H,1,4-5,7-8H2,2H3.
What are the key properties of 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol?
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol has a molecular weight of 401.53 g/mol, XLogP of 6.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol is sourced from PubChem (CID 70263996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).