6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene

C16H12Cl2 — CID 142711675

IUPAC6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene
SMILESCC1=C(c2ccc(Cl)cc2)Cc2cc(Cl)ccc21
InChIInChI=1S/C16H12Cl2/c1-10-15-7-6-14(18)8-12(15)9-16(10)11-2-4-13(17)5-3-11/h2-8H,9H2,1H3
InChIKeyMUFMRWMBBXJTCL-UHFFFAOYSA-N
MW275.18 g/mol
LogP5.48
Rot. Bonds1

About 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene

6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene (PubChem CID 142711675) has the molecular formula C16H12Cl2 and a molecular weight of 275.18 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene
PubChem CID142711675
Molecular FormulaC16H12Cl2
Molecular Weight275.18 g/mol
Exact Mass274.03
IUPAC Name6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene
SMILESCC1=C(c2ccc(Cl)cc2)Cc2cc(Cl)ccc21
InChIInChI=1S/C16H12Cl2/c1-10-15-7-6-14(18)8-12(15)9-16(10)11-2-4-13(17)5-3-11/h2-8H,9H2,1H3
InChIKeyMUFMRWMBBXJTCL-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-4-methyl-2H-chromen-7-ol
CID 121430328
azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
CID 66993056
5-chloro-3H-indene-1,2-dione
CID 11074006
7-chloro-N,N-bis(chloromethyl)-9H-fluoren-2-amine
CID 4997367
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
5-(4-chlorophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
CID 132543433
2,3-dimethyl-6-phenyl-1H-indene
CID 173147949
7-chloro-2-methyl-4H-thiochromene
CID 163521577
3,8-dichlorobenzo[c][1,2]benzodithiine
CID 3713861
2-chloro-7-methyl-10H-anthracen-9-one
CID 11806832
3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
CID 67048776
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene (CID 142711675) is 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene is CC1=C(c2ccc(Cl)cc2)Cc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene?
The InChIKey is MUFMRWMBBXJTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2/c1-10-15-7-6-14(18)8-12(15)9-16(10)11-2-4-13(17)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene?
6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene has a molecular weight of 275.18 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene is sourced from PubChem (CID 142711675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).