6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one

C17H12Cl2O4 — CID 15826150

IUPAC6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1c(Cl)c(OC)c2c(=O)cc(-c3ccccc3)oc2c1Cl
InChIInChI=1S/C17H12Cl2O4/c1-21-15-12-10(20)8-11(9-6-4-3-5-7-9)23-16(12)14(19)17(22-2)13(15)18/h3-8H,1-2H3
InChIKeyNVOILQOWVPAHRS-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.78
Rot. Bonds3

About 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one

6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one (PubChem CID 15826150) has the molecular formula C17H12Cl2O4 and a molecular weight of 351.19 g/mol. Its IUPAC name is 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
PubChem CID15826150
Molecular FormulaC17H12Cl2O4
Molecular Weight351.19 g/mol
Exact Mass350.01
IUPAC Name6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1c(Cl)c(OC)c2c(=O)cc(-c3ccccc3)oc2c1Cl
InChIInChI=1S/C17H12Cl2O4/c1-21-15-12-10(20)8-11(9-6-4-3-5-7-9)23-16(12)14(19)17(22-2)13(15)18/h3-8H,1-2H3
InChIKeyNVOILQOWVPAHRS-UHFFFAOYSA-N
XLogP4.78
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
3-chloro-4-oxo-6-phenylpyran-2-carboxylic acid
CID 15578420
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one?
The IUPAC name of 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one (CID 15826150) is 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one.
What is the SMILES notation for 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one?
The canonical SMILES for 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one is COc1c(Cl)c(OC)c2c(=O)cc(-c3ccccc3)oc2c1Cl.
What is the InChIKey of 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one?
The InChIKey is NVOILQOWVPAHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O4/c1-21-15-12-10(20)8-11(9-6-4-3-5-7-9)23-16(12)14(19)17(22-2)13(15)18/h3-8H,1-2H3.
What are the key properties of 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one?
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one has a molecular weight of 351.19 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one is sourced from PubChem (CID 15826150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).