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

C17H15ClO3 — CID 114673668

IUPAC2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3cc(C)ccc3O2)cc1Cl
InChIInChI=1S/C17H15ClO3/c1-10-3-5-15-12(7-10)14(19)9-17(21-15)11-4-6-16(20-2)13(18)8-11/h3-8,17H,9H2,1-2H3
InChIKeyWNDGQCLXOHQVTQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.36
Rot. Bonds2

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

2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 114673668) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID114673668
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3cc(C)ccc3O2)cc1Cl
InChIInChI=1S/C17H15ClO3/c1-10-3-5-15-12(7-10)14(19)9-17(21-15)11-4-6-16(20-2)13(18)8-11/h3-8,17H,9H2,1-2H3
InChIKeyWNDGQCLXOHQVTQ-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
CID 141386085
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114672657
2-(3-chloro-4-methoxyphenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2,3-dihydrochromen-4-one
CID 141386048
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12073467
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 102145698
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one (CID 114673668) is 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one is COc1ccc(C2CC(=O)c3cc(C)ccc3O2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is WNDGQCLXOHQVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-10-3-5-15-12(7-10)14(19)9-17(21-15)11-4-6-16(20-2)13(18)8-11/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one?
2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 302.76 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).