methanol

CH4O — CID 887

IUPACmethanol
SMILESCO
InChIInChI=1S/CH4O/c1-2/h2H,1H3
InChIKeyOKKJLVBELUTLKV-UHFFFAOYSA-N
MW32.04 g/mol
LogP-0.39
Rot. Bonds

About methanol

methanol (PubChem CID 887) has the molecular formula CH4O and a molecular weight of 32.04 g/mol. Its IUPAC name is methanol.

Molecular Properties

Compound Namemethanol
PubChem CID887
Molecular FormulaCH4O
Molecular Weight32.04 g/mol
Exact Mass32.03
IUPAC Namemethanol
SMILESCO
InChIInChI=1S/CH4O/c1-2/h2H,1H3
InChIKeyOKKJLVBELUTLKV-UHFFFAOYSA-N
XLogP-0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50032.04
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methanol-D4
CID 71568
Methyl alcohol-d
CID 12201670
Methan(2H)ol
CID 123113
(2H3)Methanol
CID 123132
Methanol-13C
CID 11205710
Methanol-18O
CID 12201672
Dideuterio-hydroxy-methane
CID 12812205
Trideuterio(deuteriooxy)(113C)methane
CID 11788253
Methanol--water (1/1)
CID 22242641
Hydroxymethyl-d3 radical
CID 138852
Methyloxidanium
CID 12660727
(111C)methanol
CID 450515

Frequently Asked Questions

What is the IUPAC name of methanol?
The IUPAC name of methanol (CID 887) is methanol.
What is the SMILES notation for methanol?
The canonical SMILES for methanol is CO.
What is the InChIKey of methanol?
The InChIKey is OKKJLVBELUTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O/c1-2/h2H,1H3.
What are the key properties of methanol?
methanol has a molecular weight of 32.04 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol is sourced from PubChem (CID 887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).