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

C20H20O5 — CID 112775413

IUPAC7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
SMILESCCCOc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C20H20O5/c1-2-11-22-16-6-8-17(9-7-16)23-12-13-24-18-5-3-15-4-10-20(21)25-19(15)14-18/h3-10,14H,2,11-13H2,1H3
InChIKeyDYNSMOCTLPBFQB-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.04
Rot. Bonds8

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

7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one (PubChem CID 112775413) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
PubChem CID112775413
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
SMILESCCCOc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C20H20O5/c1-2-11-22-16-6-8-17(9-7-16)23-12-13-24-18-5-3-15-4-10-20(21)25-19(15)14-18/h3-10,14H,2,11-13H2,1H3
InChIKeyDYNSMOCTLPBFQB-UHFFFAOYSA-N
XLogP4.04
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
CID 58868616
7-(2-hydroxypentoxy)chromen-2-one
CID 130287251
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
(2-oxochromen-7-yl) 4-(4-butoxyphenyl)benzoate
CID 101338011
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one (CID 112775413) is 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one is CCCOc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one?
The InChIKey is DYNSMOCTLPBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-2-11-22-16-6-8-17(9-7-16)23-12-13-24-18-5-3-15-4-10-20(21)25-19(15)14-18/h3-10,14H,2,11-13H2,1H3.
What are the key properties of 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one?
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one has a molecular weight of 340.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one is sourced from PubChem (CID 112775413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).