ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol

C19H31NO — CID 91168784

IUPACethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol
SMILESCC.CC1CCN(C2CCC(O)(c3ccccc3)CC2)C1
InChIInChI=1S/C17H25NO.C2H6/c1-14-9-12-18(13-14)16-7-10-17(19,11-8-16)15-5-3-2-4-6-15;1-2/h2-6,14,16,19H,7-13H2,1H3;1-2H3
InChIKeyDZYXGCNPFPVUNN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.18
Rot. Bonds2

About ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol

ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol (PubChem CID 91168784) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Nameethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol
PubChem CID91168784
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Nameethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol
SMILESCC.CC1CCN(C2CCC(O)(c3ccccc3)CC2)C1
InChIInChI=1S/C17H25NO.C2H6/c1-14-9-12-18(13-14)16-7-10-17(19,11-8-16)15-5-3-2-4-6-15;1-2/h2-6,14,16,19H,7-13H2,1H3;1-2H3
InChIKeyDZYXGCNPFPVUNN-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol?
The IUPAC name of ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol (CID 91168784) is ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol.
What is the SMILES notation for ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol?
The canonical SMILES for ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol is CC.CC1CCN(C2CCC(O)(c3ccccc3)CC2)C1.
What is the InChIKey of ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol?
The InChIKey is DZYXGCNPFPVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.C2H6/c1-14-9-12-18(13-14)16-7-10-17(19,11-8-16)15-5-3-2-4-6-15;1-2/h2-6,14,16,19H,7-13H2,1H3;1-2H3.
What are the key properties of ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol?
ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 91168784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).