5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one

C18H15ClO — CID 164560651

IUPAC5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3ccc(C4CC4)c(Cl)c3)ccc21
InChIInChI=1S/C18H15ClO/c19-17-10-13(3-6-15(17)11-1-2-11)12-4-7-16-14(9-12)5-8-18(16)20/h3-4,6-7,9-11H,1-2,5,8H2
InChIKeyZPAZKWCFRBXRCB-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.01
Rot. Bonds2

About 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one

5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one (PubChem CID 164560651) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one
PubChem CID164560651
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3ccc(C4CC4)c(Cl)c3)ccc21
InChIInChI=1S/C18H15ClO/c19-17-10-13(3-6-15(17)11-1-2-11)12-4-7-16-14(9-12)5-8-18(16)20/h3-4,6-7,9-11H,1-2,5,8H2
InChIKeyZPAZKWCFRBXRCB-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Chlorophenyl)-1H-indene-1,3(2H)-dione
CID 23274867
2,7-Dichloro-9-fluorenone
CID 80527
5-(3-Chlorophenyl)-3,3-dimethylindan-1-one
CID 45483812
5-(3,4-Dichlorophenyl)-3,3-dimethylindan-1-one
CID 45483819
1-Chloroanthrone
CID 408811
4,5-Dichloroanthracen-9(10H)-one
CID 429888
(2E)-2-(4-chlorobenzylidene)-2,3-dihydro-1H-inden-1-one
CID 1796661
1H-Indene-1,3(2H)-dione, 2-(2,6-dichlorophenyl)-
CID 3043682
4-chloro-2,3-dihydro-1H-inden-1-one
CID 11332681
2-(p-Chlorobenzylidene)-1-indanone
CID 367217
2-(2-Chlorophenyl)-1H-indene-1,3(2H)-dione
CID 237823
2-Chloro-9H-fluoren-9-one
CID 18354

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one (CID 164560651) is 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3ccc(C4CC4)c(Cl)c3)ccc21.
What is the InChIKey of 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one?
The InChIKey is ZPAZKWCFRBXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c19-17-10-13(3-6-15(17)11-1-2-11)12-4-7-16-14(9-12)5-8-18(16)20/h3-4,6-7,9-11H,1-2,5,8H2.
What are the key properties of 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one?
5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one has a molecular weight of 282.77 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 164560651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).