(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol

C15H12Cl2O — CID 125481378

IUPAC(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C15H12Cl2O/c16-9-5-6-11(14(17)7-9)13-8-15(18)12-4-2-1-3-10(12)13/h1-7,13,15,18H,8H2/t13-,15+/m0/s1
InChIKeyLGOCQVHFRXXFGA-DZGCQCFKSA-N
MW279.17 g/mol
LogP4.56
Rot. Bonds1

About (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol

(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 125481378) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID125481378
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C15H12Cl2O/c16-9-5-6-11(14(17)7-9)13-8-15(18)12-4-2-1-3-10(12)13/h1-7,13,15,18H,8H2/t13-,15+/m0/s1
InChIKeyLGOCQVHFRXXFGA-DZGCQCFKSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
CID 68911432
5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 19037265
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408732
(1S,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54581800
(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
CID 125483612
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
3-(2,4-dichlorophenyl)-N,2,2-trimethylcyclobutan-1-amine
CID 81418328
(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 1472162
2-(2,4-dichlorophenyl)cyclopentan-1-one
CID 130164346
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol (CID 125481378) is (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol is O[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LGOCQVHFRXXFGA-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-9-5-6-11(14(17)7-9)13-8-15(18)12-4-2-1-3-10(12)13/h1-7,13,15,18H,8H2/t13-,15+/m0/s1.
What are the key properties of (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol?
(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 279.17 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 125481378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).