2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one

C18H15ClO5 — CID 86239579

IUPAC2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1OC
InChIInChI=1S/C18H15ClO5/c1-21-14-9-15(22-2)17(23-3)18-16(14)12(20)8-13(24-18)10-4-6-11(19)7-5-10/h4-9H,1-3H3
InChIKeyZDWRCNSPIQTTRO-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one

2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one (PubChem CID 86239579) has the molecular formula C18H15ClO5 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
PubChem CID86239579
Molecular FormulaC18H15ClO5
Molecular Weight346.77 g/mol
Exact Mass346.06
IUPAC Name2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1OC
InChIInChI=1S/C18H15ClO5/c1-21-14-9-15(22-2)17(23-3)18-16(14)12(20)8-13(24-18)10-4-6-11(19)7-5-10/h4-9H,1-3H3
InChIKeyZDWRCNSPIQTTRO-UHFFFAOYSA-N
XLogP4.14
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 158483004
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
CID 66521679
2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
CID 71559443
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
CID 688877
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one (CID 86239579) is 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1OC.
What is the InChIKey of 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one?
The InChIKey is ZDWRCNSPIQTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO5/c1-21-14-9-15(22-2)17(23-3)18-16(14)12(20)8-13(24-18)10-4-6-11(19)7-5-10/h4-9H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one?
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one has a molecular weight of 346.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one is sourced from PubChem (CID 86239579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).