3,4-dichloro-8-methoxychromen-2-one

C10H6Cl2O3 — CID 12521868

IUPAC3,4-dichloro-8-methoxychromen-2-one
SMILESCOc1cccc2c(Cl)c(Cl)c(=O)oc12
InChIInChI=1S/C10H6Cl2O3/c1-14-6-4-2-3-5-7(11)8(12)10(13)15-9(5)6/h2-4H,1H3
InChIKeyDUIXAXKONAIYSF-UHFFFAOYSA-N
MW245.06 g/mol
LogP3.11
Rot. Bonds1

About 3,4-dichloro-8-methoxychromen-2-one

3,4-dichloro-8-methoxychromen-2-one (PubChem CID 12521868) has the molecular formula C10H6Cl2O3 and a molecular weight of 245.06 g/mol. Its IUPAC name is 3,4-dichloro-8-methoxychromen-2-one.

Molecular Properties

Compound Name3,4-dichloro-8-methoxychromen-2-one
PubChem CID12521868
Molecular FormulaC10H6Cl2O3
Molecular Weight245.06 g/mol
Exact Mass243.97
IUPAC Name3,4-dichloro-8-methoxychromen-2-one
SMILESCOc1cccc2c(Cl)c(Cl)c(=O)oc12
InChIInChI=1S/C10H6Cl2O3/c1-14-6-4-2-3-5-7(11)8(12)10(13)15-9(5)6/h2-4H,1H3
InChIKeyDUIXAXKONAIYSF-UHFFFAOYSA-N
XLogP3.11
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 53.11
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

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CID 164597480
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CID 54690574
6-methoxydibenzofuran-4-thiol
CID 23254072
2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
CID 58668704
3-(hydroxymethyl)-8-methoxychromen-2-one
CID 21128834
4-ethyl-8-methoxy-1,3-benzoxazin-2-one
CID 71154693
3-chloro-5-methoxychromen-2-one
CID 165356903
(3-acetyloxy-8-methoxy-2-oxochromen-4-yl) benzoate
CID 19929915
8-methoxybenzo[a]xanthen-12-one
CID 135193701
8-methoxy-4-propylchromen-2-one
CID 42602895
4-methoxybenzo[b]oxanthrene-6,11-dione
CID 14811969

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-8-methoxychromen-2-one?
The IUPAC name of 3,4-dichloro-8-methoxychromen-2-one (CID 12521868) is 3,4-dichloro-8-methoxychromen-2-one.
What is the SMILES notation for 3,4-dichloro-8-methoxychromen-2-one?
The canonical SMILES for 3,4-dichloro-8-methoxychromen-2-one is COc1cccc2c(Cl)c(Cl)c(=O)oc12.
What is the InChIKey of 3,4-dichloro-8-methoxychromen-2-one?
The InChIKey is DUIXAXKONAIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O3/c1-14-6-4-2-3-5-7(11)8(12)10(13)15-9(5)6/h2-4H,1H3.
What are the key properties of 3,4-dichloro-8-methoxychromen-2-one?
3,4-dichloro-8-methoxychromen-2-one has a molecular weight of 245.06 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-8-methoxychromen-2-one is sourced from PubChem (CID 12521868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).