[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol

C19H23FO5 — CID 118898131

IUPAC[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol
SMILESCCOc1cc(CO)cc(OCOCCOC)c1-c1ccc(F)cc1
InChIInChI=1S/C19H23FO5/c1-3-24-17-10-14(12-21)11-18(25-13-23-9-8-22-2)19(17)15-4-6-16(20)7-5-15/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3
InChIKeyGYTCQXHTMKKOPI-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.38
Rot. Bonds10

About [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol

[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol (PubChem CID 118898131) has the molecular formula C19H23FO5 and a molecular weight of 350.39 g/mol. Its IUPAC name is [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol
PubChem CID118898131
Molecular FormulaC19H23FO5
Molecular Weight350.39 g/mol
Exact Mass350.15
IUPAC Name[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol
SMILESCCOc1cc(CO)cc(OCOCCOC)c1-c1ccc(F)cc1
InChIInChI=1S/C19H23FO5/c1-3-24-17-10-14(12-21)11-18(25-13-23-9-8-22-2)19(17)15-4-6-16(20)7-5-15/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3
InChIKeyGYTCQXHTMKKOPI-UHFFFAOYSA-N
XLogP3.38
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene
CID 86718605
3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol
CID 89081672
[3,5-dichloro-4-(4-fluorophenyl)phenyl]methanol
CID 66764611
[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
CID 10796614
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609
3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde
CID 90423669
4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenol
CID 22669970
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
CID 70007811
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol?
The IUPAC name of [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol (CID 118898131) is [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol is CCOc1cc(CO)cc(OCOCCOC)c1-c1ccc(F)cc1.
What is the InChIKey of [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol?
The InChIKey is GYTCQXHTMKKOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO5/c1-3-24-17-10-14(12-21)11-18(25-13-23-9-8-22-2)19(17)15-4-6-16(20)7-5-15/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3.
What are the key properties of [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol?
[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol has a molecular weight of 350.39 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol is sourced from PubChem (CID 118898131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).