(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol

C9H9ClO2 — CID 10511719

IUPAC(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
SMILESO[C@H]1c2ccccc2[C@H](O)C1Cl
InChIInChI=1S/C9H9ClO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7-9,11-12H/t8-,9-/m0/s1
InChIKeyUVADYYYQAKJUIF-IUCAKERBSA-N
MW184.62 g/mol
LogP1.37
Rot. Bonds

About (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol

(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol (PubChem CID 10511719) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol.

Molecular Properties

Compound Name(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
PubChem CID10511719
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
SMILESO[C@H]1c2ccccc2[C@H](O)C1Cl
InChIInChI=1S/C9H9ClO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7-9,11-12H/t8-,9-/m0/s1
InChIKeyUVADYYYQAKJUIF-IUCAKERBSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 12740385
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
2-(2,3-dichlorocyclopropyl)phenol
CID 69048040
(1R,2R,3S,4S)-4-fluoro-1,2,3,4-tetrahydronaphthalene-1,2,3-triol
CID 102091522
3-chloro-2-ethoxy-3,4-dihydro-2H-thiochromen-4-ol
CID 71721974
(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 130699170
(1R,2S,3R,10R,11R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-diol
CID 100934391
(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
CID 24778112
tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
CID 130147962
(1R,3S)-2-(4-iodophenyl)-2,3-dihydro-1H-indene-1,3-diol
CID 125481734
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol?
The IUPAC name of (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol (CID 10511719) is (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol.
What is the SMILES notation for (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol?
The canonical SMILES for (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol is O[C@H]1c2ccccc2[C@H](O)C1Cl.
What is the InChIKey of (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol?
The InChIKey is UVADYYYQAKJUIF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7-9,11-12H/t8-,9-/m0/s1.
What are the key properties of (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol?
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol has a molecular weight of 184.62 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol is sourced from PubChem (CID 10511719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).