1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol

C22H30FNO — CID 11186974

IUPAC1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol
SMILESCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C22H30FNO/c1-7-8-18-20(16-9-11-17(23)12-10-16)19(15(6)25)22(14(4)5)24-21(18)13(2)3/h9-15,25H,7-8H2,1-6H3
InChIKeyXPINZAYSUKBJNK-UHFFFAOYSA-N
MW343.49 g/mol
LogP6.14
Rot. Bonds6

About 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol

1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol (PubChem CID 11186974) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol
PubChem CID11186974
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol
SMILESCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C22H30FNO/c1-7-8-18-20(16-9-11-17(23)12-10-16)19(15(6)25)22(14(4)5)24-21(18)13(2)3/h9-15,25H,7-8H2,1-6H3
InChIKeyXPINZAYSUKBJNK-UHFFFAOYSA-N
XLogP6.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol?
The IUPAC name of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol (CID 11186974) is 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol is CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol?
The InChIKey is XPINZAYSUKBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO/c1-7-8-18-20(16-9-11-17(23)12-10-16)19(15(6)25)22(14(4)5)24-21(18)13(2)3/h9-15,25H,7-8H2,1-6H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol?
1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol has a molecular weight of 343.49 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]ethanol is sourced from PubChem (CID 11186974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).