7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene

C16H23Cl — CID 170422680

IUPAC7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene
SMILESCc1ccc(Cl)c2c1C(C(C)C)(C(C)C)CC2
InChIInChI=1S/C16H23Cl/c1-10(2)16(11(3)4)9-8-13-14(17)7-6-12(5)15(13)16/h6-7,10-11H,8-9H2,1-5H3
InChIKeyUWXSMCGPVVIPIO-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.14
Rot. Bonds2

About 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene

7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene (PubChem CID 170422680) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene.

Molecular Properties

Compound Name7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene
PubChem CID170422680
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene
SMILESCc1ccc(Cl)c2c1C(C(C)C)(C(C)C)CC2
InChIInChI=1S/C16H23Cl/c1-10(2)16(11(3)4)9-8-13-14(17)7-6-12(5)15(13)16/h6-7,10-11H,8-9H2,1-5H3
InChIKeyUWXSMCGPVVIPIO-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
The IUPAC name of 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene (CID 170422680) is 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene.
What is the SMILES notation for 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
The canonical SMILES for 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene is Cc1ccc(Cl)c2c1C(C(C)C)(C(C)C)CC2.
What is the InChIKey of 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
The InChIKey is UWXSMCGPVVIPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-10(2)16(11(3)4)9-8-13-14(17)7-6-12(5)15(13)16/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene?
7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene has a molecular weight of 250.81 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-3,3-di(propan-2-yl)-1,2-dihydroindene is sourced from PubChem (CID 170422680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).