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

C15H21NO — CID 65041706

IUPAC1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2NCc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-11-5-4-8-15(17,9-11)14-13-7-3-2-6-12(13)10-16-14/h2-3,6-7,11,14,16-17H,4-5,8-10H2,1H3
InChIKeyLWURXHGLRCTGNE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds1

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

1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol (PubChem CID 65041706) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
PubChem CID65041706
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(C2NCc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-11-5-4-8-15(17,9-11)14-13-7-3-2-6-12(13)10-16-14/h2-3,6-7,11,14,16-17H,4-5,8-10H2,1H3
InChIKeyLWURXHGLRCTGNE-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol (CID 65041706) is 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol is CC1CCCC(O)(C2NCc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol?
The InChIKey is LWURXHGLRCTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-4-8-15(17,9-11)14-13-7-3-2-6-12(13)10-16-14/h2-3,6-7,11,14,16-17H,4-5,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol?
1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65041706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).