ethane;2-methylphenol

C13H26O — CID 54326461

IUPACethane;2-methylphenol
SMILESCC.CC.CC.Cc1ccccc1O
InChIInChI=1S/C7H8O.3C2H6/c1-6-4-2-3-5-7(6)8;3*1-2/h2-5,8H,1H3;3*1-2H3
InChIKeySVHBUIVXFJZHSJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.78
Rot. Bonds

About ethane;2-methylphenol

ethane;2-methylphenol (PubChem CID 54326461) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;2-methylphenol.

Molecular Properties

Compound Nameethane;2-methylphenol
PubChem CID54326461
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameethane;2-methylphenol
SMILESCC.CC.CC.Cc1ccccc1O
InChIInChI=1S/C7H8O.3C2H6/c1-6-4-2-3-5-7(6)8;3*1-2/h2-5,8H,1H3;3*1-2H3
InChIKeySVHBUIVXFJZHSJ-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

zinc 2-methylphenol
CID 10374903
hydrazine;2-methylphenol
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methanamine;2-methylphenol
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hydroperoxymethane;2-methylphenol
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1,2-dichlorobenzene;2-methylphenol
CID 159780398
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
ethanol;bis(2-methylphenol);titanium
CID 22238726
2-methylphenol;bis(4-methylphenol)
CID 160575641
2-methylphenol;thiophene
CID 158862587
bicyclo[2.2.0]hexane;2-methylphenol
CID 70270584
2-methylphenol;nitromethane
CID 91443337

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylphenol?
The IUPAC name of ethane;2-methylphenol (CID 54326461) is ethane;2-methylphenol.
What is the SMILES notation for ethane;2-methylphenol?
The canonical SMILES for ethane;2-methylphenol is CC.CC.CC.Cc1ccccc1O.
What is the InChIKey of ethane;2-methylphenol?
The InChIKey is SVHBUIVXFJZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.3C2H6/c1-6-4-2-3-5-7(6)8;3*1-2/h2-5,8H,1H3;3*1-2H3.
What are the key properties of ethane;2-methylphenol?
ethane;2-methylphenol has a molecular weight of 198.35 g/mol, XLogP of 4.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylphenol is sourced from PubChem (CID 54326461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).