[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C23H30ClNO — CID 22005039

IUPAC[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClNO/c1-6-7-8-9-19-21(17-10-12-18(24)13-11-17)20(14-26)23(16(4)5)25-22(19)15(2)3/h8-13,15-16,26H,6-7,14H2,1-5H3/b9-8+
InChIKeyJMNILCRDBCCQKH-CMDGGOBGSA-N
MW371.95 g/mol
LogP6.95
Rot. Bonds7

About [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005039) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005039
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC Name[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClNO/c1-6-7-8-9-19-21(17-10-12-18(24)13-11-17)20(14-26)23(16(4)5)25-22(19)15(2)3/h8-13,15-16,26H,6-7,14H2,1-5H3/b9-8+
InChIKeyJMNILCRDBCCQKH-CMDGGOBGSA-N
XLogP6.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.95
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol 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-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005039) is [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is JMNILCRDBCCQKH-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H30ClNO/c1-6-7-8-9-19-21(17-10-12-18(24)13-11-17)20(14-26)23(16(4)5)25-22(19)15(2)3/h8-13,15-16,26H,6-7,14H2,1-5H3/b9-8+.
What are the key properties of [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 371.95 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).