6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane

C14H23ClO — CID 176973341

IUPAC6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane
SMILESCC.CC.Cc1cc(Cl)cc2c1CCC2O
InChIInChI=1S/C10H11ClO.2C2H6/c1-6-4-7(11)5-9-8(6)2-3-10(9)12;2*1-2/h4-5,10,12H,2-3H2,1H3;2*1-2H3
InChIKeyXGCBNMRQKKDEDI-UHFFFAOYSA-N
MW242.79 g/mol
LogP4.68
Rot. Bonds

About 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane

6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane (PubChem CID 176973341) has the molecular formula C14H23ClO and a molecular weight of 242.79 g/mol. Its IUPAC name is 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane.

Molecular Properties

Compound Name6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane
PubChem CID176973341
Molecular FormulaC14H23ClO
Molecular Weight242.79 g/mol
Exact Mass242.14
IUPAC Name6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane
SMILESCC.CC.Cc1cc(Cl)cc2c1CCC2O
InChIInChI=1S/C10H11ClO.2C2H6/c1-6-4-7(11)5-9-8(6)2-3-10(9)12;2*1-2/h4-5,10,12H,2-3H2,1H3;2*1-2H3
InChIKeyXGCBNMRQKKDEDI-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane?
The IUPAC name of 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane (CID 176973341) is 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane.
What is the SMILES notation for 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane?
The canonical SMILES for 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane is CC.CC.Cc1cc(Cl)cc2c1CCC2O.
What is the InChIKey of 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane?
The InChIKey is XGCBNMRQKKDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.2C2H6/c1-6-4-7(11)5-9-8(6)2-3-10(9)12;2*1-2/h4-5,10,12H,2-3H2,1H3;2*1-2H3.
What are the key properties of 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane?
6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane has a molecular weight of 242.79 g/mol, XLogP of 4.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2,3-dihydro-1H-inden-1-ol;ethane is sourced from PubChem (CID 176973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).