6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one

C16H12ClFO3 — CID 114672657

IUPAC6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3cc(Cl)ccc3O2)cc1F
InChIInChI=1S/C16H12ClFO3/c1-20-15-4-2-9(6-12(15)18)16-8-13(19)11-7-10(17)3-5-14(11)21-16/h2-7,16H,8H2,1H3
InChIKeyGSSFKZDNZQBUPE-UHFFFAOYSA-N
MW306.72 g/mol
LogP4.19
Rot. Bonds2

About 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one

6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114672657) has the molecular formula C16H12ClFO3 and a molecular weight of 306.72 g/mol. Its IUPAC name is 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID114672657
Molecular FormulaC16H12ClFO3
Molecular Weight306.72 g/mol
Exact Mass306.05
IUPAC Name6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3cc(Cl)ccc3O2)cc1F
InChIInChI=1S/C16H12ClFO3/c1-20-15-4-2-9(6-12(15)18)16-8-13(19)11-7-10(17)3-5-14(11)21-16/h2-7,16H,8H2,1H3
InChIKeyGSSFKZDNZQBUPE-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673668
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
6-chloro-2-(3,5-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672721
6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672978
6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114672815
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(3-chloro-4-methoxyphenyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386085
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 82046236
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12073467

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 114672657) is 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(C2CC(=O)c3cc(Cl)ccc3O2)cc1F.
What is the InChIKey of 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is GSSFKZDNZQBUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO3/c1-20-15-4-2-9(6-12(15)18)16-8-13(19)11-7-10(17)3-5-14(11)21-16/h2-7,16H,8H2,1H3.
What are the key properties of 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 306.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).