4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one

C16H12Cl2O2 — CID 60705420

IUPAC4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCc3ccc(Cl)cc3Cl)cccc21
InChIInChI=1S/C16H12Cl2O2/c17-11-5-4-10(14(18)8-11)9-20-16-3-1-2-12-13(16)6-7-15(12)19/h1-5,8H,6-7,9H2
InChIKeyTWKXHFOKGFXMFJ-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.70
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one

4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 60705420) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID60705420
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCc3ccc(Cl)cc3Cl)cccc21
InChIInChI=1S/C16H12Cl2O2/c17-11-5-4-10(14(18)8-11)9-20-16-3-1-2-12-13(16)6-7-15(12)19/h1-5,8H,6-7,9H2
InChIKeyTWKXHFOKGFXMFJ-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705375
5-[(2,4-dichlorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 7385182
4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892033
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 115982930
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
CID 103759988
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one
CID 24582197
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one (CID 60705420) is 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one is O=C1CCc2c(OCc3ccc(Cl)cc3Cl)cccc21.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is TWKXHFOKGFXMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c17-11-5-4-10(14(18)8-11)9-20-16-3-1-2-12-13(16)6-7-15(12)19/h1-5,8H,6-7,9H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one?
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 307.18 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 60705420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).