(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C11H12Cl2O — CID 115417892

IUPAC(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@@H](O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H12Cl2O/c1-6-2-3-10(14)8-4-7(12)5-9(13)11(6)8/h4-6,10,14H,2-3H2,1H3/t6?,10-/m1/s1
InChIKeyZQEKLIBISPIJJC-PHUNFMHTSA-N
MW231.12 g/mol
LogP3.92
Rot. Bonds

About (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417892) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417892
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@@H](O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H12Cl2O/c1-6-2-3-10(14)8-4-7(12)5-9(13)11(6)8/h4-6,10,14H,2-3H2,1H3/t6?,10-/m1/s1
InChIKeyZQEKLIBISPIJJC-PHUNFMHTSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417892) is (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC[C@@H](O)c2cc(Cl)cc(Cl)c21.
What is the InChIKey of (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is ZQEKLIBISPIJJC-PHUNFMHTSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-6-2-3-10(14)8-4-7(12)5-9(13)11(6)8/h4-6,10,14H,2-3H2,1H3/t6?,10-/m1/s1.
What are the key properties of (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 231.12 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).