6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one

C18H14ClNO6 — CID 2913583

IUPAC6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C18H14ClNO6/c1-10-5-18(21)26-16-8-17(14(19)7-13(10)16)25-9-11-6-12(20(22)23)3-4-15(11)24-2/h3-8H,9H2,1-2H3
InChIKeyOHVWNHXOVYDDHX-UHFFFAOYSA-N
MW375.76 g/mol
LogP4.25
Rot. Bonds5

About 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one

6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one (PubChem CID 2913583) has the molecular formula C18H14ClNO6 and a molecular weight of 375.76 g/mol. Its IUPAC name is 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
PubChem CID2913583
Molecular FormulaC18H14ClNO6
Molecular Weight375.76 g/mol
Exact Mass375.05
IUPAC Name6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C18H14ClNO6/c1-10-5-18(21)26-16-8-17(14(19)7-13(10)16)25-9-11-6-12(20(22)23)3-4-15(11)24-2/h3-8H,9H2,1-2H3
InChIKeyOHVWNHXOVYDDHX-UHFFFAOYSA-N
XLogP4.25
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-propylchromen-2-one
CID 1324405
6,7-dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]chromen-2-one
CID 7832785
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-(trifluoromethyl)chromen-2-one
CID 1285264
7-ethyl-4-[(2-methoxy-5-nitrophenoxy)methyl]chromen-2-one
CID 7931803
4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 4825255
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1332998
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
CID 166372173

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one?
The IUPAC name of 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one (CID 2913583) is 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one is COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)cc(C)c2cc1Cl.
What is the InChIKey of 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one?
The InChIKey is OHVWNHXOVYDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO6/c1-10-5-18(21)26-16-8-17(14(19)7-13(10)16)25-9-11-6-12(20(22)23)3-4-15(11)24-2/h3-8H,9H2,1-2H3.
What are the key properties of 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one?
6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one has a molecular weight of 375.76 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 2913583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).