(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol

C11H12Cl2O — CID 79837769

IUPAC(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@@H](O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H12Cl2O/c1-11(2)5-9(14)7-3-6(12)4-8(13)10(7)11/h3-4,9,14H,5H2,1-2H3/t9-/m1/s1
InChIKeyUVKIWRGWUVILQQ-SECBINFHSA-N
MW231.12 g/mol
LogP3.71
Rot. Bonds

About (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol

(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 79837769) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID79837769
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@@H](O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H12Cl2O/c1-11(2)5-9(14)7-3-6(12)4-8(13)10(7)11/h3-4,9,14H,5H2,1-2H3/t9-/m1/s1
InChIKeyUVKIWRGWUVILQQ-SECBINFHSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 79837769) is (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)C[C@@H](O)c2cc(Cl)cc(Cl)c21.
What is the InChIKey of (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is UVKIWRGWUVILQQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-11(2)5-9(14)7-3-6(12)4-8(13)10(7)11/h3-4,9,14H,5H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 231.12 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79837769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).