6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol

C13H17ClO — CID 176973407

IUPAC6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol
SMILESCC(C)c1cc(Cl)cc2c1CCC2(C)O
InChIInChI=1S/C13H17ClO/c1-8(2)11-6-9(14)7-12-10(11)4-5-13(12,3)15/h6-8,15H,4-5H2,1-3H3
InChIKeyFXRHJJGLHUIFEQ-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.62
Rot. Bonds1

About 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol

6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol (PubChem CID 176973407) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol
PubChem CID176973407
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol
SMILESCC(C)c1cc(Cl)cc2c1CCC2(C)O
InChIInChI=1S/C13H17ClO/c1-8(2)11-6-9(14)7-12-10(11)4-5-13(12,3)15/h6-8,15H,4-5H2,1-3H3
InChIKeyFXRHJJGLHUIFEQ-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol (CID 176973407) is 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol is CC(C)c1cc(Cl)cc2c1CCC2(C)O.
What is the InChIKey of 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol?
The InChIKey is FXRHJJGLHUIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-8(2)11-6-9(14)7-12-10(11)4-5-13(12,3)15/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol?
6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-propan-2-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 176973407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).