7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one

C20H18O4 — CID 7565097

IUPAC7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
SMILESCC(C)c1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C20H18O4/c1-13(2)14-3-5-15(6-4-14)18(21)12-23-17-9-7-16-8-10-20(22)24-19(16)11-17/h3-11,13H,12H2,1-2H3
InChIKeyZBDKXZWFRVCAEM-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.18
Rot. Bonds5

About 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one

7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one (PubChem CID 7565097) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
PubChem CID7565097
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
SMILESCC(C)c1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C20H18O4/c1-13(2)14-3-5-15(6-4-14)18(21)12-23-17-9-7-16-8-10-20(22)24-19(16)11-17/h3-11,13H,12H2,1-2H3
InChIKeyZBDKXZWFRVCAEM-UHFFFAOYSA-N
XLogP4.18
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
CID 7432101
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
6-phenacyloxychromen-2-one
CID 127037717
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
CID 127037718
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
4-[(2-oxochromen-7-yl)oxymethoxy]benzoic acid
CID 59211340

Frequently Asked Questions

What is the IUPAC name of 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one (CID 7565097) is 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one is CC(C)c1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one?
The InChIKey is ZBDKXZWFRVCAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-13(2)14-3-5-15(6-4-14)18(21)12-23-17-9-7-16-8-10-20(22)24-19(16)11-17/h3-11,13H,12H2,1-2H3.
What are the key properties of 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one?
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one has a molecular weight of 322.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one is sourced from PubChem (CID 7565097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).