5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one

C20H19ClO2 — CID 132563406

IUPAC5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
SMILESCOc1ccc2c(c1)CCC1(Cc3ccc(CCl)cc3C1)C2=O
InChIInChI=1S/C20H19ClO2/c1-23-17-4-5-18-14(9-17)6-7-20(19(18)22)10-15-3-2-13(12-21)8-16(15)11-20/h2-5,8-9H,6-7,10-12H2,1H3
InChIKeyKXDDLGQVDKZRHL-UHFFFAOYSA-N
MW326.82 g/mol
LogP4.35
Rot. Bonds2

About 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one

5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one (PubChem CID 132563406) has the molecular formula C20H19ClO2 and a molecular weight of 326.82 g/mol. Its IUPAC name is 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one.

Molecular Properties

Compound Name5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
PubChem CID132563406
Molecular FormulaC20H19ClO2
Molecular Weight326.82 g/mol
Exact Mass326.11
IUPAC Name5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
SMILESCOc1ccc2c(c1)CCC1(Cc3ccc(CCl)cc3C1)C2=O
InChIInChI=1S/C20H19ClO2/c1-23-17-4-5-18-14(9-17)6-7-20(19(18)22)10-15-3-2-13(12-21)8-16(15)11-20/h2-5,8-9H,6-7,10-12H2,1H3
InChIKeyKXDDLGQVDKZRHL-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5,6-bis(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563408
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
CID 135016415
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
6-methoxy-2-[(4-methoxyphenyl)methyl]-2-(2-phenylethynyl)-3,4-dihydronaphthalen-1-one
CID 102033872
6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
CID 70610370
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 143943923
prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
CID 101410049
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one?
The IUPAC name of 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one (CID 132563406) is 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one.
What is the SMILES notation for 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one?
The canonical SMILES for 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one is COc1ccc2c(c1)CCC1(Cc3ccc(CCl)cc3C1)C2=O.
What is the InChIKey of 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one?
The InChIKey is KXDDLGQVDKZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO2/c1-23-17-4-5-18-14(9-17)6-7-20(19(18)22)10-15-3-2-13(12-21)8-16(15)11-20/h2-5,8-9H,6-7,10-12H2,1H3.
What are the key properties of 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one?
5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one has a molecular weight of 326.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one is sourced from PubChem (CID 132563406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).