(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol

C10H11ClO2 — CID 134294877

IUPAC(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
SMILESO[C@@H]1c2c(Cl)cccc2CC[C@@H]1O
InChIInChI=1S/C10H11ClO2/c11-7-3-1-2-6-4-5-8(12)10(13)9(6)7/h1-3,8,10,12-13H,4-5H2/t8-,10-/m0/s1
InChIKeyUKIHDHRASWCPMF-WPRPVWTQSA-N
MW198.65 g/mol
LogP1.68
Rot. Bonds

About (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol

(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol (PubChem CID 134294877) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
PubChem CID134294877
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
SMILESO[C@@H]1c2c(Cl)cccc2CC[C@@H]1O
InChIInChI=1S/C10H11ClO2/c11-7-3-1-2-6-4-5-8(12)10(13)9(6)7/h1-3,8,10,12-13H,4-5H2/t8-,10-/m0/s1
InChIKeyUKIHDHRASWCPMF-WPRPVWTQSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151291625
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105449608
(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 140845769
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 83358632
8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile
CID 117051004
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 157083464
(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82394731
8-chloro-1-isocyanato-1,2,3,4-tetrahydronaphthalene
CID 83833988
6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84721189
(8-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 83880243

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The IUPAC name of (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol (CID 134294877) is (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol is O[C@@H]1c2c(Cl)cccc2CC[C@@H]1O.
What is the InChIKey of (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The InChIKey is UKIHDHRASWCPMF-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-7-3-1-2-6-4-5-8(12)10(13)9(6)7/h1-3,8,10,12-13H,4-5H2/t8-,10-/m0/s1.
What are the key properties of (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol?
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol has a molecular weight of 198.65 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 134294877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).