[4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C23H32ClNO — CID 22005166

IUPAC[4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(Cl)c1
InChIInChI=1S/C23H32ClNO/c1-6-7-8-12-19-21(17-10-9-11-18(24)13-17)20(14-26)23(16(4)5)25-22(19)15(2)3/h9-11,13,15-16,26H,6-8,12,14H2,1-5H3
InChIKeyAUNVTBCVCUUPJD-UHFFFAOYSA-N
MW373.97 g/mol
LogP6.87
Rot. Bonds8

About [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005166) has the molecular formula C23H32ClNO and a molecular weight of 373.97 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005166
Molecular FormulaC23H32ClNO
Molecular Weight373.97 g/mol
Exact Mass373.22
IUPAC Name[4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(Cl)c1
InChIInChI=1S/C23H32ClNO/c1-6-7-8-12-19-21(17-10-9-11-18(24)13-17)20(14-26)23(16(4)5)25-22(19)15(2)3/h9-11,13,15-16,26H,6-8,12,14H2,1-5H3
InChIKeyAUNVTBCVCUUPJD-UHFFFAOYSA-N
XLogP6.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.97
LogP ≤ 56.87
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 [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005166) is [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(Cl)c1.
What is the InChIKey of [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is AUNVTBCVCUUPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClNO/c1-6-7-8-12-19-21(17-10-9-11-18(24)13-17)20(14-26)23(16(4)5)25-22(19)15(2)3/h9-11,13,15-16,26H,6-8,12,14H2,1-5H3.
What are the key properties of [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 373.97 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).