6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol

C12H13ClO — CID 58392268

IUPAC6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol
SMILESOC1(C2CC2)CCc2ccc(Cl)cc21
InChIInChI=1S/C12H13ClO/c13-10-4-1-8-5-6-12(14,9-2-3-9)11(8)7-10/h1,4,7,9,14H,2-3,5-6H2
InChIKeyKIUBLCDIQRZRGD-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.88
Rot. Bonds1

About 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol

6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol (PubChem CID 58392268) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol
PubChem CID58392268
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol
SMILESOC1(C2CC2)CCc2ccc(Cl)cc21
InChIInChI=1S/C12H13ClO/c13-10-4-1-8-5-6-12(14,9-2-3-9)11(8)7-10/h1,4,7,9,14H,2-3,5-6H2
InChIKeyKIUBLCDIQRZRGD-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 84736618
5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 80562646
(1'S,3S)-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 170693906
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374140
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
1-(2,5-dichlorophenyl)-2-methylcyclopropan-1-ol
CID 79332312
1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756639
1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 67059855
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
1-(5-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 83384980
(4bS,8aR)-4b-(2-aminoethyl)-3-chloro-5,6,7,8,9,10-hexahydrophenanthren-8a-ol;hydrochloride
CID 67689306
2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
CID 164819418

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol?
The IUPAC name of 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol (CID 58392268) is 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol is OC1(C2CC2)CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol?
The InChIKey is KIUBLCDIQRZRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-10-4-1-8-5-6-12(14,9-2-3-9)11(8)7-10/h1,4,7,9,14H,2-3,5-6H2.
What are the key properties of 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol?
6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol has a molecular weight of 208.69 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 58392268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).