2-chloro-1,3,3-trimethyl-1,2-dihydroindene

C12H15Cl — CID 139835399

IUPAC2-chloro-1,3,3-trimethyl-1,2-dihydroindene
SMILESCC1c2ccccc2C(C)(C)C1Cl
InChIInChI=1S/C12H15Cl/c1-8-9-6-4-5-7-10(9)12(2,3)11(8)13/h4-8,11H,1-3H3
InChIKeyRQIURVHWNVYIIE-UHFFFAOYSA-N
MW194.71 g/mol
LogP3.69
Rot. Bonds

About 2-chloro-1,3,3-trimethyl-1,2-dihydroindene

2-chloro-1,3,3-trimethyl-1,2-dihydroindene (PubChem CID 139835399) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 2-chloro-1,3,3-trimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name2-chloro-1,3,3-trimethyl-1,2-dihydroindene
PubChem CID139835399
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name2-chloro-1,3,3-trimethyl-1,2-dihydroindene
SMILESCC1c2ccccc2C(C)(C)C1Cl
InChIInChI=1S/C12H15Cl/c1-8-9-6-4-5-7-10(9)12(2,3)11(8)13/h4-8,11H,1-3H3
InChIKeyRQIURVHWNVYIIE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2,3,3-trimethyl-1-(trideuteriomethyl)-1,2-dihydroindene
CID 102270310
(1S,2S)-1,2-dimethyl-3,3-bis(trideuteriomethyl)-1,2-dihydroindene
CID 102270308
(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
CID 100995671
1,1,2,3,4,4-hexamethyl-3a,8b-dihydrocyclopenta[a]indene
CID 172640775
2-hydroxy-1,3,3-trimethyl-1H-isoindole
CID 67547990
3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
CID 130128997
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
CID 170673933
(2R)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
CID 177097652
1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
CID 18728941
11,11-dimethyl-4b,10a-dihydrobenzo[b]fluorene
CID 163424311
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,3-trimethyl-1,2-dihydroindene?
The IUPAC name of 2-chloro-1,3,3-trimethyl-1,2-dihydroindene (CID 139835399) is 2-chloro-1,3,3-trimethyl-1,2-dihydroindene.
What is the SMILES notation for 2-chloro-1,3,3-trimethyl-1,2-dihydroindene?
The canonical SMILES for 2-chloro-1,3,3-trimethyl-1,2-dihydroindene is CC1c2ccccc2C(C)(C)C1Cl.
What is the InChIKey of 2-chloro-1,3,3-trimethyl-1,2-dihydroindene?
The InChIKey is RQIURVHWNVYIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-8-9-6-4-5-7-10(9)12(2,3)11(8)13/h4-8,11H,1-3H3.
What are the key properties of 2-chloro-1,3,3-trimethyl-1,2-dihydroindene?
2-chloro-1,3,3-trimethyl-1,2-dihydroindene has a molecular weight of 194.71 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,3-trimethyl-1,2-dihydroindene is sourced from PubChem (CID 139835399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).