4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol

C14H18ClNO — CID 117382930

IUPAC4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
SMILESOc1c(CC2CCCN2)cc2c(c1Cl)CCC2
InChIInChI=1S/C14H18ClNO/c15-13-12-5-1-3-9(12)7-10(14(13)17)8-11-4-2-6-16-11/h7,11,16-17H,1-6,8H2
InChIKeyMXWAHIRVCZQNJE-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.83
Rot. Bonds2

About 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol

4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 117382930) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
PubChem CID117382930
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol
SMILESOc1c(CC2CCCN2)cc2c(c1Cl)CCC2
InChIInChI=1S/C14H18ClNO/c15-13-12-5-1-3-9(12)7-10(14(13)17)8-11-4-2-6-16-11/h7,11,16-17H,1-6,8H2
InChIKeyMXWAHIRVCZQNJE-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474188
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
CID 117495196
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
1-chloro-3-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117475508
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
5-tert-butyl-3-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117377108
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol (CID 117382930) is 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol is Oc1c(CC2CCCN2)cc2c(c1Cl)CCC2.
What is the InChIKey of 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MXWAHIRVCZQNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-13-12-5-1-3-9(12)7-10(14(13)17)8-11-4-2-6-16-11/h7,11,16-17H,1-6,8H2.
What are the key properties of 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol?
4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 251.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 117382930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).