methanol;styrene

C9H12O — CID 22714718

IUPACmethanol;styrene
SMILESC=Cc1ccccc1.CO
InChIInChI=1S/C8H8.CH4O/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;2H,1H3
InChIKeyDXYFFDHUTOBVEK-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.94
Rot. Bonds1

About methanol;styrene

methanol;styrene (PubChem CID 22714718) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is methanol;styrene.

Molecular Properties

Compound Namemethanol;styrene
PubChem CID22714718
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namemethanol;styrene
SMILESC=Cc1ccccc1.CO
InChIInChI=1S/C8H8.CH4O/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;2H,1H3
InChIKeyDXYFFDHUTOBVEK-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;styrene?
The IUPAC name of methanol;styrene (CID 22714718) is methanol;styrene.
What is the SMILES notation for methanol;styrene?
The canonical SMILES for methanol;styrene is C=Cc1ccccc1.CO.
What is the InChIKey of methanol;styrene?
The InChIKey is DXYFFDHUTOBVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.CH4O/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;2H,1H3.
What are the key properties of methanol;styrene?
methanol;styrene has a molecular weight of 136.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;styrene is sourced from PubChem (CID 22714718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).