6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C20H19ClO5 — CID 71739541

IUPAC6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)cc(OC)c1OC
InChIInChI=1S/C20H19ClO5/c1-10-6-15-18(11(2)19(10)21)13(22)9-14(26-15)12-7-16(23-3)20(25-5)17(8-12)24-4/h6-9H,1-5H3
InChIKeyBOUKBOMKKITVQJ-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.76
Rot. Bonds4

About 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one

6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 71739541) has the molecular formula C20H19ClO5 and a molecular weight of 374.82 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID71739541
Molecular FormulaC20H19ClO5
Molecular Weight374.82 g/mol
Exact Mass374.09
IUPAC Name6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)cc(OC)c1OC
InChIInChI=1S/C20H19ClO5/c1-10-6-15-18(11(2)19(10)21)13(22)9-14(26-15)12-7-16(23-3)20(25-5)17(8-12)24-4/h6-9H,1-5H3
InChIKeyBOUKBOMKKITVQJ-UHFFFAOYSA-N
XLogP4.76
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
[2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-oxochromen-5-yl] acetate
CID 12679339
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 71739541) is 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is BOUKBOMKKITVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO5/c1-10-6-15-18(11(2)19(10)21)13(22)9-14(26-15)12-7-16(23-3)20(25-5)17(8-12)24-4/h6-9H,1-5H3.
What are the key properties of 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 374.82 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 71739541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).