2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol

C18H21FO4 — CID 129101482

IUPAC2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol
SMILESCOCCOC(CO)c1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C18H21FO4/c1-21-9-10-22-18(12-20)16-11-15(19)7-8-17(16)23-13-14-5-3-2-4-6-14/h2-8,11,18,20H,9-10,12-13H2,1H3
InChIKeyIRQCYECBTDKFRF-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.10
Rot. Bonds9

About 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol

2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol (PubChem CID 129101482) has the molecular formula C18H21FO4 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol
PubChem CID129101482
Molecular FormulaC18H21FO4
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol
SMILESCOCCOC(CO)c1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C18H21FO4/c1-21-9-10-22-18(12-20)16-11-15(19)7-8-17(16)23-13-14-5-3-2-4-6-14/h2-8,11,18,20H,9-10,12-13H2,1H3
InChIKeyIRQCYECBTDKFRF-UHFFFAOYSA-N
XLogP3.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.10
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

[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate
CID 129101483
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
CID 91202911
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
CID 138485730
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol?
The IUPAC name of 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol (CID 129101482) is 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol?
The canonical SMILES for 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol is COCCOC(CO)c1cc(F)ccc1OCc1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol?
The InChIKey is IRQCYECBTDKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO4/c1-21-9-10-22-18(12-20)16-11-15(19)7-8-17(16)23-13-14-5-3-2-4-6-14/h2-8,11,18,20H,9-10,12-13H2,1H3.
What are the key properties of 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol?
2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol has a molecular weight of 320.36 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol is sourced from PubChem (CID 129101482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).