4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one

C20H20O3 — CID 14798404

IUPAC4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12
InChIInChI=1S/C20H20O3/c1-13(2)16-6-4-15(5-7-16)12-22-17-8-9-18-14(3)10-20(21)23-19(18)11-17/h4-11,13H,12H2,1-3H3
InChIKeyBPAWKVPUGTUOCV-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.80
Rot. Bonds4

About 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one

4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one (PubChem CID 14798404) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
PubChem CID14798404
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12
InChIInChI=1S/C20H20O3/c1-13(2)16-6-4-15(5-7-16)12-22-17-8-9-18-14(3)10-20(21)23-19(18)11-17/h4-11,13H,12H2,1-3H3
InChIKeyBPAWKVPUGTUOCV-UHFFFAOYSA-N
XLogP4.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-phenylmethoxychromen-2-one
CID 728520
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
[1-(ethylamino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 45352154
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2367621
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
CID 2102682
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 29170589
[2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 16503659
(4-methyl-2-oxochromen-7-yl) 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 7961684
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide
CID 27742540

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one (CID 14798404) is 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12.
What is the InChIKey of 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one?
The InChIKey is BPAWKVPUGTUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13(2)16-6-4-15(5-7-16)12-22-17-8-9-18-14(3)10-20(21)23-19(18)11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one?
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one has a molecular weight of 308.38 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one is sourced from PubChem (CID 14798404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).