3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one

C18H17ClO4 — CID 134982327

IUPAC3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)cc1OC)CC2=O
InChIInChI=1S/C18H17ClO4/c1-21-16-6-10(19)4-5-11(16)12-7-15(20)14-9-18(23-3)17(22-2)8-13(12)14/h4-6,8-9,12H,7H2,1-3H3
InChIKeyZEGKLNMVLRHDCE-UHFFFAOYSA-N
MW332.78 g/mol
LogP4.08
Rot. Bonds4

About 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one

3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one (PubChem CID 134982327) has the molecular formula C18H17ClO4 and a molecular weight of 332.78 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
PubChem CID134982327
Molecular FormulaC18H17ClO4
Molecular Weight332.78 g/mol
Exact Mass332.08
IUPAC Name3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)cc1OC)CC2=O
InChIInChI=1S/C18H17ClO4/c1-21-16-6-10(19)4-5-11(16)12-7-15(20)14-9-18(23-3)17(22-2)8-13(12)14/h4-6,8-9,12H,7H2,1-3H3
InChIKeyZEGKLNMVLRHDCE-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
CID 137412659
5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-1H-isoquinolin-4-one
CID 19098787
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
CID 11677634
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
(2S)-2-(4-chloro-2-methoxyphenyl)piperidin-1-ium
CID 7144643
4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
CID 131059149
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
5-chloro-3-oxo-1,2-dihydroindene-1-carbonitrile
CID 82125634

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one (CID 134982327) is 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(c1ccc(Cl)cc1OC)CC2=O.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one?
The InChIKey is ZEGKLNMVLRHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO4/c1-21-16-6-10(19)4-5-11(16)12-7-15(20)14-9-18(23-3)17(22-2)8-13(12)14/h4-6,8-9,12H,7H2,1-3H3.
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one?
3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one has a molecular weight of 332.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 134982327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).