7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one

C17H13FO4 — CID 7233626

IUPAC7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCCOc3ccc(F)cc3)cc2o1
InChIInChI=1S/C17H13FO4/c18-13-3-6-14(7-4-13)20-9-10-21-15-5-1-12-2-8-17(19)22-16(12)11-15/h1-8,11H,9-10H2
InChIKeyDZCHLOOFHADZCF-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.39
Rot. Bonds5

About 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one

7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one (PubChem CID 7233626) has the molecular formula C17H13FO4 and a molecular weight of 300.29 g/mol. Its IUPAC name is 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
PubChem CID7233626
Molecular FormulaC17H13FO4
Molecular Weight300.29 g/mol
Exact Mass300.08
IUPAC Name7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCCOc3ccc(F)cc3)cc2o1
InChIInChI=1S/C17H13FO4/c18-13-3-6-14(7-4-13)20-9-10-21-15-5-1-12-2-8-17(19)22-16(12)11-15/h1-8,11H,9-10H2
InChIKeyDZCHLOOFHADZCF-UHFFFAOYSA-N
XLogP3.39
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285
7-[3,4-dihydroxy-3-(hydroxymethyl)butoxy]chromen-2-one
CID 12066855
7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
CID 58868616
4-[(2-oxochromen-7-yl)oxymethoxy]benzoic acid
CID 59211340
7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
(2-oxochromen-7-yl) hypoiodite
CID 138751183

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one (CID 7233626) is 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one is O=c1ccc2ccc(OCCOc3ccc(F)cc3)cc2o1.
What is the InChIKey of 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one?
The InChIKey is DZCHLOOFHADZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c18-13-3-6-14(7-4-13)20-9-10-21-15-5-1-12-2-8-17(19)22-16(12)11-15/h1-8,11H,9-10H2.
What are the key properties of 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one?
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one has a molecular weight of 300.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one is sourced from PubChem (CID 7233626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).