3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol

C13H19NO — CID 65041986

IUPAC3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
SMILESCCC(O)(CC)C1NCc2ccccc21
InChIInChI=1S/C13H19NO/c1-3-13(15,4-2)12-11-8-6-5-7-10(11)9-14-12/h5-8,12,14-15H,3-4,9H2,1-2H3
InChIKeyRTBOZUKDPPWOTR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds3

About 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol

3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol (PubChem CID 65041986) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
PubChem CID65041986
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
SMILESCCC(O)(CC)C1NCc2ccccc21
InChIInChI=1S/C13H19NO/c1-3-13(15,4-2)12-11-8-6-5-7-10(11)9-14-12/h5-8,12,14-15H,3-4,9H2,1-2H3
InChIKeyRTBOZUKDPPWOTR-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol
CID 114228337
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole
CID 112564983
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol
CID 106823260

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol (CID 65041986) is 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol is CCC(O)(CC)C1NCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol?
The InChIKey is RTBOZUKDPPWOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-13(15,4-2)12-11-8-6-5-7-10(11)9-14-12/h5-8,12,14-15H,3-4,9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol?
3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol is sourced from PubChem (CID 65041986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).