2-fluoro-4-(5-octylpyrimidin-2-yl)phenol

C18H23FN2O — CID 135689415

IUPAC2-fluoro-4-(5-octylpyrimidin-2-yl)phenol
SMILESCCCCCCCCc1cnc(-c2ccc(O)c(F)c2)nc1
InChIInChI=1S/C18H23FN2O/c1-2-3-4-5-6-7-8-14-12-20-18(21-13-14)15-9-10-17(22)16(19)11-15/h9-13,22H,2-8H2,1H3
InChIKeyUTTCDWXKFAHGJA-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.89
Rot. Bonds8

About 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol

2-fluoro-4-(5-octylpyrimidin-2-yl)phenol (PubChem CID 135689415) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(5-octylpyrimidin-2-yl)phenol
PubChem CID135689415
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name2-fluoro-4-(5-octylpyrimidin-2-yl)phenol
SMILESCCCCCCCCc1cnc(-c2ccc(O)c(F)c2)nc1
InChIInChI=1S/C18H23FN2O/c1-2-3-4-5-6-7-8-14-12-20-18(21-13-14)15-9-10-17(22)16(19)11-15/h9-13,22H,2-8H2,1H3
InChIKeyUTTCDWXKFAHGJA-UHFFFAOYSA-N
XLogP4.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentylpyrimidine
CID 21270878
2-[3-fluoro-4-(4-pentylphenyl)phenyl]-5-hexylpyrimidine
CID 21271029
2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoic acid
CID 57180367
2-(3-fluoro-4-hexoxyphenyl)-5-pentylpyrimidine
CID 21270951
2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine
CID 20708813
2-fluoro-4-[5-(4-nonylphenyl)pyrazin-2-yl]phenol
CID 135736656
2-(4-ethynyl-3-fluorophenyl)-5-pentylpyrimidine
CID 129037341
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
2-[4-(3,5-difluoro-4-methylphenyl)-3,5-difluorophenyl]-5-heptylpyrimidine
CID 20708824
5-decyl-2-[3-fluoro-4-(5-fluorohexyl)phenyl]pyrimidine
CID 21197056

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol?
The IUPAC name of 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol (CID 135689415) is 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol is CCCCCCCCc1cnc(-c2ccc(O)c(F)c2)nc1.
What is the InChIKey of 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol?
The InChIKey is UTTCDWXKFAHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-2-3-4-5-6-7-8-14-12-20-18(21-13-14)15-9-10-17(22)16(19)11-15/h9-13,22H,2-8H2,1H3.
What are the key properties of 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol?
2-fluoro-4-(5-octylpyrimidin-2-yl)phenol has a molecular weight of 302.39 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-octylpyrimidin-2-yl)phenol is sourced from PubChem (CID 135689415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).