7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one

C23H17ClO4 — CID 1109324

IUPAC7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
SMILESCc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C23H17ClO4/c1-15-23(28-17-8-3-2-4-9-17)22(25)19-12-11-18(13-21(19)27-15)26-14-16-7-5-6-10-20(16)24/h2-13H,14H2,1H3
InChIKeyHJKKBQYULHJRNU-UHFFFAOYSA-N
MW392.84 g/mol
LogP6.13
Rot. Bonds5

About 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one

7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one (PubChem CID 1109324) has the molecular formula C23H17ClO4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
PubChem CID1109324
Molecular FormulaC23H17ClO4
Molecular Weight392.84 g/mol
Exact Mass392.08
IUPAC Name7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
SMILESCc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C23H17ClO4/c1-15-23(28-17-8-3-2-4-9-17)22(25)19-12-11-18(13-21(19)27-15)26-14-16-7-5-6-10-20(16)24/h2-13H,14H2,1H3
InChIKeyHJKKBQYULHJRNU-UHFFFAOYSA-N
XLogP6.13
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
CID 2018267
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
ethyl 4-[7-[(2-chlorophenyl)methoxy]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 95398590
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
propyl 4-[7-[(2-chloro-4-fluorophenyl)methoxy]-2-methyl-4-oxochromen-3-yl]oxybenzoate
CID 2009831
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one?
The IUPAC name of 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one (CID 1109324) is 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one.
What is the SMILES notation for 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one?
The canonical SMILES for 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one is Cc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1Oc1ccccc1.
What is the InChIKey of 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one?
The InChIKey is HJKKBQYULHJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO4/c1-15-23(28-17-8-3-2-4-9-17)22(25)19-12-11-18(13-21(19)27-15)26-14-16-7-5-6-10-20(16)24/h2-13H,14H2,1H3.
What are the key properties of 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one?
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one has a molecular weight of 392.84 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one is sourced from PubChem (CID 1109324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).