trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol

C16H23NO — CID 123510239

IUPACtrans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](N2Cc3ccccc3C2)C[C@H]1O
InChIInChI=1S/C16H23NO/c1-16(2)8-7-14(9-15(16)18)17-10-12-5-3-4-6-13(12)11-17/h3-6,14-15,18H,7-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyOXMGDECQMSXRRY-HUUCEWRRSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds1

About trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol

trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 123510239) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol
PubChem CID123510239
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Nametrans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](N2Cc3ccccc3C2)C[C@H]1O
InChIInChI=1S/C16H23NO/c1-16(2)8-7-14(9-15(16)18)17-10-12-5-3-4-6-13(12)11-17/h3-6,14-15,18H,7-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyOXMGDECQMSXRRY-HUUCEWRRSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol (CID 123510239) is trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CC[C@@H](N2Cc3ccccc3C2)C[C@H]1O.
What is the InChIKey of trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is OXMGDECQMSXRRY-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)8-7-14(9-15(16)18)17-10-12-5-3-4-6-13(12)11-17/h3-6,14-15,18H,7-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol?
trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-5-(1,3-dihydroisoindol-2-yl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 123510239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).