(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol

C11H13ClO — CID 129411297

IUPAC(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1cc(Cl)c2c(c1)[C@H](O)[C@@H](C)C2
InChIInChI=1S/C11H13ClO/c1-6-3-9-8(10(12)4-6)5-7(2)11(9)13/h3-4,7,11,13H,5H2,1-2H3/t7-,11+/m0/s1
InChIKeyXRQOIAXUPJMKQU-WRWORJQWSA-N
MW196.68 g/mol
LogP2.87
Rot. Bonds

About (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol

(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 129411297) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
PubChem CID129411297
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1cc(Cl)c2c(c1)[C@H](O)[C@@H](C)C2
InChIInChI=1S/C11H13ClO/c1-6-3-9-8(10(12)4-6)5-7(2)11(9)13/h3-4,7,11,13H,5H2,1-2H3/t7-,11+/m0/s1
InChIKeyXRQOIAXUPJMKQU-WRWORJQWSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 129411299
8-chloro-3-ethyl-6-methyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 106871084
1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene
CID 79726788
(3S,4S)-4-hydroxy-3,6-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 10352511
(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51557059
N-ethyl-2,4,6-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79725988
2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
CID 55265546
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
8-chloro-4,7,12-trihydroxy-3-methyl-3,4-dihydro-2H-tetracene-1,6,11-trione
CID 10133897
7-chloro-N,2,5-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 62670583
4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
CID 130787930
4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3997786

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol (CID 129411297) is (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol is Cc1cc(Cl)c2c(c1)[C@H](O)[C@@H](C)C2.
What is the InChIKey of (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XRQOIAXUPJMKQU-WRWORJQWSA-N. The full InChI is InChI=1S/C11H13ClO/c1-6-3-9-8(10(12)4-6)5-7(2)11(9)13/h3-4,7,11,13H,5H2,1-2H3/t7-,11+/m0/s1.
What are the key properties of (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
(1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 196.68 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4-chloro-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 129411297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).