[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate

C19H21FO6 — CID 146330939

IUPAC[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate
SMILESCOCCOc1ccc(-c2ccc(OC=O)c(F)c2)cc1OCCOC
InChIInChI=1S/C19H21FO6/c1-22-7-9-24-18-6-4-15(12-19(18)25-10-8-23-2)14-3-5-17(26-13-21)16(20)11-14/h3-6,11-13H,7-10H2,1-2H3
InChIKeyJBYDBJMMVREREN-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.08
Rot. Bonds11

About [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate

[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate (PubChem CID 146330939) has the molecular formula C19H21FO6 and a molecular weight of 364.37 g/mol. Its IUPAC name is [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate.

Molecular Properties

Compound Name[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate
PubChem CID146330939
Molecular FormulaC19H21FO6
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate
SMILESCOCCOc1ccc(-c2ccc(OC=O)c(F)c2)cc1OCCOC
InChIInChI=1S/C19H21FO6/c1-22-7-9-24-18-6-4-15(12-19(18)25-10-8-23-2)14-3-5-17(26-13-21)16(20)11-14/h3-6,11-13H,7-10H2,1-2H3
InChIKeyJBYDBJMMVREREN-UHFFFAOYSA-N
XLogP3.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
6-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 177461008
2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde
CID 59803816
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
CID 154827727
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine
CID 141320437
1-[4-(2-methoxyethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651121

Frequently Asked Questions

What is the IUPAC name of [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate?
The IUPAC name of [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate (CID 146330939) is [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate.
What is the SMILES notation for [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate?
The canonical SMILES for [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate is COCCOc1ccc(-c2ccc(OC=O)c(F)c2)cc1OCCOC.
What is the InChIKey of [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate?
The InChIKey is JBYDBJMMVREREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO6/c1-22-7-9-24-18-6-4-15(12-19(18)25-10-8-23-2)14-3-5-17(26-13-21)16(20)11-14/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate?
[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate has a molecular weight of 364.37 g/mol, XLogP of 3.08, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate is sourced from PubChem (CID 146330939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).