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

C11H13ClO — CID 176973357

IUPAC6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol
SMILESCc1cc(Cl)cc2c1CCC2(C)O
InChIInChI=1S/C11H13ClO/c1-7-5-8(12)6-10-9(7)3-4-11(10,2)13/h5-6,13H,3-4H2,1-2H3
InChIKeyOUNAYWVHUBUSPN-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.80
Rot. Bonds

About 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol

6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol (PubChem CID 176973357) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol
PubChem CID176973357
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol
SMILESCc1cc(Cl)cc2c1CCC2(C)O
InChIInChI=1S/C11H13ClO/c1-7-5-8(12)6-10-9(7)3-4-11(10,2)13/h5-6,13H,3-4H2,1-2H3
InChIKeyOUNAYWVHUBUSPN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol?
The IUPAC name of 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol (CID 176973357) is 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol is Cc1cc(Cl)cc2c1CCC2(C)O.
What is the InChIKey of 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol?
The InChIKey is OUNAYWVHUBUSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7-5-8(12)6-10-9(7)3-4-11(10,2)13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol?
6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol has a molecular weight of 196.68 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dimethyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 176973357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).