ethane;2-methyl-1H-pyrrole;phenol

C15H25NO — CID 91594756

IUPACethane;2-methyl-1H-pyrrole;phenol
SMILESCC.CC.Cc1ccc[nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H7N.2C2H6/c7-6-4-2-1-3-5-6;1-5-3-2-4-6-5;2*1-2/h1-5,7H;2-4,6H,1H3;2*1-2H3
InChIKeyFXCIUQKFABBTSS-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.77
Rot. Bonds

About ethane;2-methyl-1H-pyrrole;phenol

ethane;2-methyl-1H-pyrrole;phenol (PubChem CID 91594756) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;2-methyl-1H-pyrrole;phenol.

Molecular Properties

Compound Nameethane;2-methyl-1H-pyrrole;phenol
PubChem CID91594756
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;2-methyl-1H-pyrrole;phenol
SMILESCC.CC.Cc1ccc[nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H7N.2C2H6/c7-6-4-2-1-3-5-6;1-5-3-2-4-6-5;2*1-2/h1-5,7H;2-4,6H,1H3;2*1-2H3
InChIKeyFXCIUQKFABBTSS-UHFFFAOYSA-N
XLogP4.77
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-pyrrole;phenol?
The IUPAC name of ethane;2-methyl-1H-pyrrole;phenol (CID 91594756) is ethane;2-methyl-1H-pyrrole;phenol.
What is the SMILES notation for ethane;2-methyl-1H-pyrrole;phenol?
The canonical SMILES for ethane;2-methyl-1H-pyrrole;phenol is CC.CC.Cc1ccc[nH]1.Oc1ccccc1.
What is the InChIKey of ethane;2-methyl-1H-pyrrole;phenol?
The InChIKey is FXCIUQKFABBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H7N.2C2H6/c7-6-4-2-1-3-5-6;1-5-3-2-4-6-5;2*1-2/h1-5,7H;2-4,6H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1H-pyrrole;phenol?
ethane;2-methyl-1H-pyrrole;phenol has a molecular weight of 235.37 g/mol, XLogP of 4.77, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-pyrrole;phenol is sourced from PubChem (CID 91594756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).