7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one

C19H18O4 — CID 2384022

IUPAC7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
SMILESCc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1C
InChIInChI=1S/C19H18O4/c1-13-3-6-16(11-14(13)2)21-9-10-22-17-7-4-15-5-8-19(20)23-18(15)12-17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyRJLPCOTUJHOAMG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.87
Rot. Bonds5

About 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one

7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one (PubChem CID 2384022) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
PubChem CID2384022
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
SMILESCc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1C
InChIInChI=1S/C19H18O4/c1-13-3-6-16(11-14(13)2)21-9-10-22-17-7-4-15-5-8-19(20)23-18(15)12-17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyRJLPCOTUJHOAMG-UHFFFAOYSA-N
XLogP3.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.87
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-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
7-(2-aminoethoxy)chromen-2-one
CID 82506816
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
CID 58868616
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285
7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one (CID 2384022) is 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one is Cc1ccc(OCCOc2ccc3ccc(=O)oc3c2)cc1C.
What is the InChIKey of 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one?
The InChIKey is RJLPCOTUJHOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-13-3-6-16(11-14(13)2)21-9-10-22-17-7-4-15-5-8-19(20)23-18(15)12-17/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one?
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one is sourced from PubChem (CID 2384022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).