(E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol

C18H21NO — CID 13417327

IUPAC(E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol
SMILESOCCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C18H21NO/c20-14-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-13-19-15-17/h3-5,8-13,15,20H,1-2,6-7,14H2/b18-12+
InChIKeyBXZOICLPXGVIPJ-LDADJPATSA-N
MW267.37 g/mol
LogP4.07
Rot. Bonds7

About (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol

(E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol (PubChem CID 13417327) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol.

Molecular Properties

Compound Name(E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol
PubChem CID13417327
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol
SMILESOCCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C18H21NO/c20-14-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-13-19-15-17/h3-5,8-13,15,20H,1-2,6-7,14H2/b18-12+
InChIKeyBXZOICLPXGVIPJ-LDADJPATSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol?
The IUPAC name of (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol (CID 13417327) is (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol.
What is the SMILES notation for (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol?
The canonical SMILES for (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol is OCCCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol?
The InChIKey is BXZOICLPXGVIPJ-LDADJPATSA-N. The full InChI is InChI=1S/C18H21NO/c20-14-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-13-19-15-17/h3-5,8-13,15,20H,1-2,6-7,14H2/b18-12+.
What are the key properties of (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol?
(E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol has a molecular weight of 267.37 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-phenyl-7-pyridin-3-ylhept-6-en-1-ol is sourced from PubChem (CID 13417327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).