3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one

C19H18O4 — CID 11843295

IUPAC3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
SMILESCc1c(C)c2ccc(OCCOc3ccccc3)cc2oc1=O
InChIInChI=1S/C19H18O4/c1-13-14(2)19(20)23-18-12-16(8-9-17(13)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyHVTYBWMEWGLZDS-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.87
Rot. Bonds5

About 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one

3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one (PubChem CID 11843295) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one.

Molecular Properties

Compound Name3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
PubChem CID11843295
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
SMILESCc1c(C)c2ccc(OCCOc3ccccc3)cc2oc1=O
InChIInChI=1S/C19H18O4/c1-13-14(2)19(20)23-18-12-16(8-9-17(13)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyHVTYBWMEWGLZDS-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

2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840
12-(3,4-dimethyl-2-oxochromen-7-yl)oxydodecyl propanoate
CID 164597251
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-3,4-dimethylchromen-2-one;hydrochloride
CID 155559130
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 906268
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
3-bromo-4-methyl-7-phenacyloxychromen-2-one
CID 46197762
7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one?
The IUPAC name of 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one (CID 11843295) is 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one.
What is the SMILES notation for 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one?
The canonical SMILES for 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one is Cc1c(C)c2ccc(OCCOc3ccccc3)cc2oc1=O.
What is the InChIKey of 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one?
The InChIKey is HVTYBWMEWGLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-13-14(2)19(20)23-18-12-16(8-9-17(13)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one?
3,4-dimethyl-7-(2-phenoxyethoxy)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 3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one is sourced from PubChem (CID 11843295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).