3-fluoro-4-(4-octoxyphenyl)phenol

C20H25FO2 — CID 19430943

IUPAC3-fluoro-4-(4-octoxyphenyl)phenol
SMILESCCCCCCCCOc1ccc(-c2ccc(O)cc2F)cc1
InChIInChI=1S/C20H25FO2/c1-2-3-4-5-6-7-14-23-18-11-8-16(9-12-18)19-13-10-17(22)15-20(19)21/h8-13,15,22H,2-7,14H2,1H3
InChIKeyWYNNTUDCALWFNU-UHFFFAOYSA-N
MW316.42 g/mol
LogP5.94
Rot. Bonds9

About 3-fluoro-4-(4-octoxyphenyl)phenol

3-fluoro-4-(4-octoxyphenyl)phenol (PubChem CID 19430943) has the molecular formula C20H25FO2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-fluoro-4-(4-octoxyphenyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(4-octoxyphenyl)phenol
PubChem CID19430943
Molecular FormulaC20H25FO2
Molecular Weight316.42 g/mol
Exact Mass316.18
IUPAC Name3-fluoro-4-(4-octoxyphenyl)phenol
SMILESCCCCCCCCOc1ccc(-c2ccc(O)cc2F)cc1
InChIInChI=1S/C20H25FO2/c1-2-3-4-5-6-7-14-23-18-11-8-16(9-12-18)19-13-10-17(22)15-20(19)21/h8-13,15,22H,2-7,14H2,1H3
InChIKeyWYNNTUDCALWFNU-UHFFFAOYSA-N
XLogP5.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 55.94
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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Related Compounds

3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
4-(4-decoxyphenyl)-3-fluorobenzoic acid
CID 15156905
3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
CID 135827543
4-(difluoromethoxy)-2-fluoro-1-[4-(4-hexoxyphenyl)phenyl]benzene
CID 54231348
4-(4-decoxyphenyl)-2,3-difluorophenol
CID 19430954
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
4-octadecoxyphenol
CID 22179059
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-octoxyphenyl)phenyl]benzene
CID 67798957
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-heptoxyphenyl)phenyl]benzene
CID 67799885
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 67797398
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-octoxyphenyl)phenol?
The IUPAC name of 3-fluoro-4-(4-octoxyphenyl)phenol (CID 19430943) is 3-fluoro-4-(4-octoxyphenyl)phenol.
What is the SMILES notation for 3-fluoro-4-(4-octoxyphenyl)phenol?
The canonical SMILES for 3-fluoro-4-(4-octoxyphenyl)phenol is CCCCCCCCOc1ccc(-c2ccc(O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-octoxyphenyl)phenol?
The InChIKey is WYNNTUDCALWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO2/c1-2-3-4-5-6-7-14-23-18-11-8-16(9-12-18)19-13-10-17(22)15-20(19)21/h8-13,15,22H,2-7,14H2,1H3.
What are the key properties of 3-fluoro-4-(4-octoxyphenyl)phenol?
3-fluoro-4-(4-octoxyphenyl)phenol has a molecular weight of 316.42 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-octoxyphenyl)phenol is sourced from PubChem (CID 19430943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).