2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one

C24H20O4 — CID 1109327

IUPAC2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
SMILESCc1oc2cc(O[C@@H](C)c3ccccc3)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C24H20O4/c1-16(18-9-5-3-6-10-18)26-20-13-14-21-22(15-20)27-17(2)24(23(21)25)28-19-11-7-4-8-12-19/h3-16H,1-2H3/t16-/m0/s1
InChIKeyWFTBZTZSMJCIMV-INIZCTEOSA-N
MW372.42 g/mol
LogP6.03
Rot. Bonds5

About 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one

2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one (PubChem CID 1109327) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one.

Molecular Properties

Compound Name2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
PubChem CID1109327
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
SMILESCc1oc2cc(O[C@@H](C)c3ccccc3)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C24H20O4/c1-16(18-9-5-3-6-10-18)26-20-13-14-21-22(15-20)27-17(2)24(23(21)25)28-19-11-7-4-8-12-19/h3-16H,1-2H3/t16-/m0/s1
InChIKeyWFTBZTZSMJCIMV-INIZCTEOSA-N
XLogP6.03
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
3-chloro-4-methyl-7-(1-phenylethoxy)chromen-2-one
CID 23936745
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 2-chloro-2-phenylacetate
CID 110274429
(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
CID 6972935
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanamide
CID 25387415
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
CID 2938832
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
(2S)-N-(2-methoxy-5-methylphenyl)-2-[2-methyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxy-2-phenylacetamide
CID 2410882
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one?
The IUPAC name of 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one (CID 1109327) is 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one.
What is the SMILES notation for 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one?
The canonical SMILES for 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one is Cc1oc2cc(O[C@@H](C)c3ccccc3)ccc2c(=O)c1Oc1ccccc1.
What is the InChIKey of 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one?
The InChIKey is WFTBZTZSMJCIMV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20O4/c1-16(18-9-5-3-6-10-18)26-20-13-14-21-22(15-20)27-17(2)24(23(21)25)28-19-11-7-4-8-12-19/h3-16H,1-2H3/t16-/m0/s1.
What are the key properties of 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one?
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one has a molecular weight of 372.42 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one is sourced from PubChem (CID 1109327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).