4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol

C18H21NO2 — CID 19352647

IUPAC4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol
SMILESCC(O)CCC/C=C/c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C18H21NO2/c1-14(20)5-3-2-4-6-17-10-7-16(13-19-17)15-8-11-18(21)12-9-15/h4,6-14,20-21H,2-3,5H2,1H3/b6-4+
InChIKeySROZINLZBUOYSS-GQCTYLIASA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds6

About 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol

4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol (PubChem CID 19352647) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol
PubChem CID19352647
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol
SMILESCC(O)CCC/C=C/c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C18H21NO2/c1-14(20)5-3-2-4-6-17-10-7-16(13-19-17)15-8-11-18(21)12-9-15/h4,6-14,20-21H,2-3,5H2,1H3/b6-4+
InChIKeySROZINLZBUOYSS-GQCTYLIASA-N
XLogP4.02
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol?
The IUPAC name of 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol (CID 19352647) is 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol is CC(O)CCC/C=C/c1ccc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol?
The InChIKey is SROZINLZBUOYSS-GQCTYLIASA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(20)5-3-2-4-6-17-10-7-16(13-19-17)15-8-11-18(21)12-9-15/h4,6-14,20-21H,2-3,5H2,1H3/b6-4+.
What are the key properties of 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol?
4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol is sourced from PubChem (CID 19352647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).