(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol

C16H17FO3 — CID 104658593

IUPAC(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FO3/c1-19-10-11-20-15-5-3-2-4-14(15)16(18)12-6-8-13(17)9-7-12/h2-9,16,18H,10-11H2,1H3
InChIKeyOPOOKLOVKYBOHF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.93
Rot. Bonds6

About (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol

(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol (PubChem CID 104658593) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
PubChem CID104658593
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FO3/c1-19-10-11-20-15-5-3-2-4-14(15)16(18)12-6-8-13(17)9-7-12/h2-9,16,18H,10-11H2,1H3
InChIKeyOPOOKLOVKYBOHF-UHFFFAOYSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659559
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
CID 104661372
[2-(2-methoxyethoxy)phenyl]-(2-methylfuran-3-yl)methanol
CID 104789530
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
[2-(2-methoxyethoxy)phenyl]-(3-methyl-2-pyridinyl)methanol
CID 104659512
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
[2-(2-methoxyethoxy)phenyl]-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105125520

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol (CID 104658593) is (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol is COCCOc1ccccc1C(O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is OPOOKLOVKYBOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-10-11-20-15-5-3-2-4-14(15)16(18)12-6-8-13(17)9-7-12/h2-9,16,18H,10-11H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 276.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 104658593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).