4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol

C15H19ClO3 — CID 89299936

IUPAC4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OC[C@@H]3C[C@H](Cl)C[C@H]3O)cccc21
InChIInChI=1S/C15H19ClO3/c16-10-6-9(14(18)7-10)8-19-15-3-1-2-11-12(15)4-5-13(11)17/h1-3,9-10,13-14,17-18H,4-8H2/t9-,10-,13?,14+/m0/s1
InChIKeyMVCGBWMOYNEEFV-VJFNYOPKSA-N
MW282.77 g/mol
LogP2.42
Rot. Bonds3

About 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol

4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 89299936) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID89299936
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OC[C@@H]3C[C@H](Cl)C[C@H]3O)cccc21
InChIInChI=1S/C15H19ClO3/c16-10-6-9(14(18)7-10)8-19-15-3-1-2-11-12(15)4-5-13(11)17/h1-3,9-10,13-14,17-18H,4-8H2/t9-,10-,13?,14+/m0/s1
InChIKeyMVCGBWMOYNEEFV-VJFNYOPKSA-N
XLogP2.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 66419924
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
N-cyclopropyl-2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
CID 63091231
4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
CID 63091389
5-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 63091025
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 67058341
3-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 63090874

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol (CID 89299936) is 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(OC[C@@H]3C[C@H](Cl)C[C@H]3O)cccc21.
What is the InChIKey of 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MVCGBWMOYNEEFV-VJFNYOPKSA-N. The full InChI is InChI=1S/C15H19ClO3/c16-10-6-9(14(18)7-10)8-19-15-3-1-2-11-12(15)4-5-13(11)17/h1-3,9-10,13-14,17-18H,4-8H2/t9-,10-,13?,14+/m0/s1.
What are the key properties of 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol?
4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 282.77 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 89299936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).