ethane-1,2-diol;styrene

C10H14O2 — CID 19778502

IUPACethane-1,2-diol;styrene
SMILESC=Cc1ccccc1.OCCO
InChIInChI=1S/C8H8.C2H6O2/c1-2-8-6-4-3-5-7-8;3-1-2-4/h2-7H,1H2;3-4H,1-2H2
InChIKeyRVOFXXHFWZDMJV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.30
Rot. Bonds2

About ethane-1,2-diol;styrene

ethane-1,2-diol;styrene (PubChem CID 19778502) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethane-1,2-diol;styrene.

Molecular Properties

Compound Nameethane-1,2-diol;styrene
PubChem CID19778502
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethane-1,2-diol;styrene
SMILESC=Cc1ccccc1.OCCO
InChIInChI=1S/C8H8.C2H6O2/c1-2-8-6-4-3-5-7-8;3-1-2-4/h2-7H,1H2;3-4H,1-2H2
InChIKeyRVOFXXHFWZDMJV-UHFFFAOYSA-N
XLogP1.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;styrene?
The IUPAC name of ethane-1,2-diol;styrene (CID 19778502) is ethane-1,2-diol;styrene.
What is the SMILES notation for ethane-1,2-diol;styrene?
The canonical SMILES for ethane-1,2-diol;styrene is C=Cc1ccccc1.OCCO.
What is the InChIKey of ethane-1,2-diol;styrene?
The InChIKey is RVOFXXHFWZDMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H6O2/c1-2-8-6-4-3-5-7-8;3-1-2-4/h2-7H,1H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;styrene?
ethane-1,2-diol;styrene has a molecular weight of 166.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;styrene is sourced from PubChem (CID 19778502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).