2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one

C18H15ClO4 — CID 28812128

IUPAC2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc(Cl)c1O
InChIInChI=1S/C18H15ClO4/c1-9-4-10(2)18-12(5-9)14(20)8-15(23-18)11-6-13(19)17(21)16(7-11)22-3/h4-8,21H,1-3H3
InChIKeyKTUQEGLCZKUNHW-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.44
Rot. Bonds2

About 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one

2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one (PubChem CID 28812128) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
PubChem CID28812128
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Name2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc(Cl)c1O
InChIInChI=1S/C18H15ClO4/c1-9-4-10(2)18-12(5-9)14(20)8-15(23-18)11-6-13(19)17(21)16(7-11)22-3/h4-8,21H,1-3H3
InChIKeyKTUQEGLCZKUNHW-UHFFFAOYSA-N
XLogP4.44
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
The IUPAC name of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one (CID 28812128) is 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
The canonical SMILES for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one is COc1cc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
The InChIKey is KTUQEGLCZKUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-9-4-10(2)18-12(5-9)14(20)8-15(23-18)11-6-13(19)17(21)16(7-11)22-3/h4-8,21H,1-3H3.
What are the key properties of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one has a molecular weight of 330.77 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one is sourced from PubChem (CID 28812128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).