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

C25H37NO — CID 22005154

IUPAC[4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(CC)cc1
InChIInChI=1S/C25H37NO/c1-7-9-10-11-21-23(20-14-12-19(8-2)13-15-20)22(16-27)25(18(5)6)26-24(21)17(3)4/h12-15,17-18,27H,7-11,16H2,1-6H3
InChIKeyMTGJGHBLPPFPPE-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.78
Rot. Bonds9

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

[4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005154) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005154
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name[4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(CC)cc1
InChIInChI=1S/C25H37NO/c1-7-9-10-11-21-23(20-14-12-19(8-2)13-15-20)22(16-27)25(18(5)6)26-24(21)17(3)4/h12-15,17-18,27H,7-11,16H2,1-6H3
InChIKeyMTGJGHBLPPFPPE-UHFFFAOYSA-N
XLogP6.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.78
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-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005154) is [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(CC)cc1.
What is the InChIKey of [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is MTGJGHBLPPFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-7-9-10-11-21-23(20-14-12-19(8-2)13-15-20)22(16-27)25(18(5)6)26-24(21)17(3)4/h12-15,17-18,27H,7-11,16H2,1-6H3.
What are the key properties of [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 367.58 g/mol, XLogP of 6.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).