7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol

C11H13ClO — CID 3022861

IUPAC7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol
SMILESCC1(C)CCc2c(O)ccc(Cl)c21
InChIInChI=1S/C11H13ClO/c1-11(2)6-5-7-9(13)4-3-8(12)10(7)11/h3-4,13H,5-6H2,1-2H3
InChIKeyKZOVKESZCFEXNY-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.27
Rot. Bonds

About 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol

7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol (PubChem CID 3022861) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol.

Molecular Properties

Compound Name7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol
PubChem CID3022861
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol
SMILESCC1(C)CCc2c(O)ccc(Cl)c21
InChIInChI=1S/C11H13ClO/c1-11(2)6-5-7-9(13)4-3-8(12)10(7)11/h3-4,13H,5-6H2,1-2H3
InChIKeyKZOVKESZCFEXNY-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol?
The IUPAC name of 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol (CID 3022861) is 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol.
What is the SMILES notation for 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol?
The canonical SMILES for 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol is CC1(C)CCc2c(O)ccc(Cl)c21.
What is the InChIKey of 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol?
The InChIKey is KZOVKESZCFEXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(2)6-5-7-9(13)4-3-8(12)10(7)11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol?
7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol has a molecular weight of 196.68 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,1-dimethyl-2,3-dihydroinden-4-ol is sourced from PubChem (CID 3022861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).