(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol

C15H12Cl2O2 — CID 134510335

IUPAC(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1ccc(Cl)cc1[C@H]1CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C15H12Cl2O2/c16-8-1-5-13(18)11(7-8)9-2-3-10-12(17)4-6-14(19)15(9)10/h1,4-7,9,18-19H,2-3H2/t9-/m1/s1
InChIKeyJJEGHCVQDNJMOB-SECBINFHSA-N
MW295.16 g/mol
LogP4.48
Rot. Bonds1

About (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol

(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol (PubChem CID 134510335) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.16 g/mol. Its IUPAC name is (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol
PubChem CID134510335
Molecular FormulaC15H12Cl2O2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1ccc(Cl)cc1[C@H]1CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C15H12Cl2O2/c16-8-1-5-13(18)11(7-8)9-2-3-10-12(17)4-6-14(19)15(9)10/h1,4-7,9,18-19H,2-3H2/t9-/m1/s1
InChIKeyJJEGHCVQDNJMOB-SECBINFHSA-N
XLogP4.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol (CID 134510335) is (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol is Oc1ccc(Cl)cc1[C@H]1CCc2c(Cl)ccc(O)c21.
What is the InChIKey of (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is JJEGHCVQDNJMOB-SECBINFHSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-8-1-5-13(18)11(7-8)9-2-3-10-12(17)4-6-14(19)15(9)10/h1,4-7,9,18-19H,2-3H2/t9-/m1/s1.
What are the key properties of (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol?
(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 295.16 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 134510335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).