2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol

C18H20F2O2 — CID 13147086

IUPAC2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(O)c(F)c1)C(CC)c1ccc(O)c(F)c1
InChIInChI=1S/C18H20F2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3
InChIKeyFKJMLZCOBHMNEM-UHFFFAOYSA-N
MW306.35 g/mol
LogP5.06
Rot. Bonds5

About 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol

2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol (PubChem CID 13147086) has the molecular formula C18H20F2O2 and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
PubChem CID13147086
Molecular FormulaC18H20F2O2
Molecular Weight306.35 g/mol
Exact Mass306.14
IUPAC Name2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(O)c(F)c1)C(CC)c1ccc(O)c(F)c1
InChIInChI=1S/C18H20F2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3
InChIKeyFKJMLZCOBHMNEM-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.35
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
2-fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
CID 3047826
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693456
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol (CID 13147086) is 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol is CCC(c1ccc(O)c(F)c1)C(CC)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol?
The InChIKey is FKJMLZCOBHMNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol?
2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol has a molecular weight of 306.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol is sourced from PubChem (CID 13147086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).