2-chloroethenylbenzene;methanol

C9H11ClO — CID 159831331

IUPAC2-chloroethenylbenzene;methanol
SMILESCO.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.CH4O/c9-7-6-8-4-2-1-3-5-8;1-2/h1-7H;2H,1H3
InChIKeyNNMPKMCTEUJKFA-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.50
Rot. Bonds1

About 2-chloroethenylbenzene;methanol

2-chloroethenylbenzene;methanol (PubChem CID 159831331) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloroethenylbenzene;methanol.

Molecular Properties

Compound Name2-chloroethenylbenzene;methanol
PubChem CID159831331
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-chloroethenylbenzene;methanol
SMILESCO.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.CH4O/c9-7-6-8-4-2-1-3-5-8;1-2/h1-7H;2H,1H3
InChIKeyNNMPKMCTEUJKFA-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethenylbenzene;methanol?
The IUPAC name of 2-chloroethenylbenzene;methanol (CID 159831331) is 2-chloroethenylbenzene;methanol.
What is the SMILES notation for 2-chloroethenylbenzene;methanol?
The canonical SMILES for 2-chloroethenylbenzene;methanol is CO.ClC=Cc1ccccc1.
What is the InChIKey of 2-chloroethenylbenzene;methanol?
The InChIKey is NNMPKMCTEUJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.CH4O/c9-7-6-8-4-2-1-3-5-8;1-2/h1-7H;2H,1H3.
What are the key properties of 2-chloroethenylbenzene;methanol?
2-chloroethenylbenzene;methanol has a molecular weight of 170.64 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethenylbenzene;methanol is sourced from PubChem (CID 159831331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).