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

C14H21FO4 — CID 103410324

IUPAC1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1ccc(C(C)O)cc1F
InChIInChI=1S/C14H21FO4/c1-11(16)12-4-5-14(13(15)10-12)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyKHIJXDAHBHJCHV-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.31
Rot. Bonds9

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

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (PubChem CID 103410324) has the molecular formula C14H21FO4 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
PubChem CID103410324
Molecular FormulaC14H21FO4
Molecular Weight272.32 g/mol
Exact Mass272.14
IUPAC Name1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
SMILESCOCCOCCCOc1ccc(C(C)O)cc1F
InChIInChI=1S/C14H21FO4/c1-11(16)12-4-5-14(13(15)10-12)19-7-3-6-18-9-8-17-2/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyKHIJXDAHBHJCHV-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-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410329
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
1-[3-fluoro-4-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63856190
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol (CID 103410324) is 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is COCCOCCCOc1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
The InChIKey is KHIJXDAHBHJCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO4/c1-11(16)12-4-5-14(13(15)10-12)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-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol?
1-[3-fluoro-4-[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-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol is sourced from PubChem (CID 103410324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).