4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol

C12H17FO3 — CID 116861530

IUPAC4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
SMILESCOc1ccc(F)cc1C(C)(O)CCCO
InChIInChI=1S/C12H17FO3/c1-12(15,6-3-7-14)10-8-9(13)4-5-11(10)16-2/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeySXQFBJDWVBXUED-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.81
Rot. Bonds5

About 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol

4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol (PubChem CID 116861530) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
PubChem CID116861530
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
SMILESCOc1ccc(F)cc1C(C)(O)CCCO
InChIInChI=1S/C12H17FO3/c1-12(15,6-3-7-14)10-8-9(13)4-5-11(10)16-2/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeySXQFBJDWVBXUED-UHFFFAOYSA-N
XLogP1.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
CID 116861564
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
2-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832664
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159
5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
CID 142814279
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol (CID 116861530) is 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol is COc1ccc(F)cc1C(C)(O)CCCO.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol?
The InChIKey is SXQFBJDWVBXUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-12(15,6-3-7-14)10-8-9(13)4-5-11(10)16-2/h4-5,8,14-15H,3,6-7H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol?
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol has a molecular weight of 228.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol is sourced from PubChem (CID 116861530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).