1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol

C14H21FO4 — CID 103410280

IUPAC1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1cc(F)ccc1C(C)O
InChIInChI=1S/C14H21FO4/c1-11(16)13-5-4-12(15)10-14(13)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyUMRKSKUPTPAHFT-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.31
Rot. Bonds9

About 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol

1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (PubChem CID 103410280) has the molecular formula C14H21FO4 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
PubChem CID103410280
Molecular FormulaC14H21FO4
Molecular Weight272.32 g/mol
Exact Mass272.14
IUPAC Name1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1cc(F)ccc1C(C)O
InChIInChI=1S/C14H21FO4/c1-11(16)13-5-4-12(15)10-14(13)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyUMRKSKUPTPAHFT-UHFFFAOYSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
CID 103410549

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (CID 103410280) is 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is COCCOCCCOc1cc(F)ccc1C(C)O.
What is the InChIKey of 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The InChIKey is UMRKSKUPTPAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO4/c1-11(16)13-5-4-12(15)10-14(13)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol has a molecular weight of 272.32 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is sourced from PubChem (CID 103410280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).