7-chloro-1-propan-2-yl-1H-indene

C12H13Cl — CID 165097985

IUPAC7-chloro-1-propan-2-yl-1H-indene
SMILESCC(C)C1C=Cc2cccc(Cl)c21
InChIInChI=1S/C12H13Cl/c1-8(2)10-7-6-9-4-3-5-11(13)12(9)10/h3-8,10H,1-2H3
InChIKeyUUQZYDSQWNYTQQ-UHFFFAOYSA-N
MW192.69 g/mol
LogP4.11
Rot. Bonds1

About 7-chloro-1-propan-2-yl-1H-indene

7-chloro-1-propan-2-yl-1H-indene (PubChem CID 165097985) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 7-chloro-1-propan-2-yl-1H-indene.

Molecular Properties

Compound Name7-chloro-1-propan-2-yl-1H-indene
PubChem CID165097985
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name7-chloro-1-propan-2-yl-1H-indene
SMILESCC(C)C1C=Cc2cccc(Cl)c21
InChIInChI=1S/C12H13Cl/c1-8(2)10-7-6-9-4-3-5-11(13)12(9)10/h3-8,10H,1-2H3
InChIKeyUUQZYDSQWNYTQQ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-propan-2-yl-1H-indene?
The IUPAC name of 7-chloro-1-propan-2-yl-1H-indene (CID 165097985) is 7-chloro-1-propan-2-yl-1H-indene.
What is the SMILES notation for 7-chloro-1-propan-2-yl-1H-indene?
The canonical SMILES for 7-chloro-1-propan-2-yl-1H-indene is CC(C)C1C=Cc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-propan-2-yl-1H-indene?
The InChIKey is UUQZYDSQWNYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl/c1-8(2)10-7-6-9-4-3-5-11(13)12(9)10/h3-8,10H,1-2H3.
What are the key properties of 7-chloro-1-propan-2-yl-1H-indene?
7-chloro-1-propan-2-yl-1H-indene has a molecular weight of 192.69 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-propan-2-yl-1H-indene is sourced from PubChem (CID 165097985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).