4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol

C29H35NO2 — CID 70265196

IUPAC4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol
SMILESCCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1
InChIInChI=1S/C29H35NO2/c1-3-4-8-21-32-23(2)9-6-5-7-10-28-18-15-27(22-30-28)26-13-11-24(12-14-26)25-16-19-29(31)20-17-25/h7,10-20,22-23,31H,3-6,8-9,21H2,1-2H3
InChIKeyDGSCQMGYQKJPGY-UHFFFAOYSA-N
MW429.60 g/mol
LogP7.90
Rot. Bonds12

About 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol

4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol (PubChem CID 70265196) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol
PubChem CID70265196
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC Name4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol
SMILESCCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1
InChIInChI=1S/C29H35NO2/c1-3-4-8-21-32-23(2)9-6-5-7-10-28-18-15-27(22-30-28)26-13-11-24(12-14-26)25-16-19-29(31)20-17-25/h7,10-20,22-23,31H,3-6,8-9,21H2,1-2H3
InChIKeyDGSCQMGYQKJPGY-UHFFFAOYSA-N
XLogP7.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70264761
2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine
CID 70264274
4-[5-[4-(6-pentoxyhept-1-enyl)phenyl]pyrazin-2-yl]phenol
CID 173288690
4-[6-[3-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70260782
3-fluoro-4-[6-[4-(6-pentoxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
CID 70264003
2-[(E)-6-pentoxyhept-1-enyl]-5-[4-(4-prop-2-enylphenyl)phenyl]pyrimidine
CID 70264469
4-[2,3-difluoro-4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]phenol
CID 70260854
2-[(E)-6-pentoxyhept-1-enyl]-5-(4-prop-2-enoxyphenyl)pyrimidine
CID 70263167
2,3-difluoro-4-[4-[2-[(E)-6-pentoxyhept-1-enyl]pyrimidin-5-yl]phenyl]phenol
CID 70263779
3-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]isoquinolin-7-ol
CID 70263304
2-[3-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]pyrimidin-5-ol
CID 70264577
6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
CID 70262722

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol?
The IUPAC name of 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol (CID 70265196) is 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol?
The canonical SMILES for 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol is CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cn1.
What is the InChIKey of 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol?
The InChIKey is DGSCQMGYQKJPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2/c1-3-4-8-21-32-23(2)9-6-5-7-10-28-18-15-27(22-30-28)26-13-11-24(12-14-26)25-16-19-29(31)20-17-25/h7,10-20,22-23,31H,3-6,8-9,21H2,1-2H3.
What are the key properties of 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol?
4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol has a molecular weight of 429.60 g/mol, XLogP of 7.90, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol is sourced from PubChem (CID 70265196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).