1-(2-chloro-4-ethenylphenyl)ethanol

C10H11ClO — CID 139747558

IUPAC1-(2-chloro-4-ethenylphenyl)ethanol
SMILESC=Cc1ccc(C(C)O)c(Cl)c1
InChIInChI=1S/C10H11ClO/c1-3-8-4-5-9(7(2)12)10(11)6-8/h3-7,12H,1H2,2H3
InChIKeyOSPDMUAJNWMQGI-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.04
Rot. Bonds2

About 1-(2-chloro-4-ethenylphenyl)ethanol

1-(2-chloro-4-ethenylphenyl)ethanol (PubChem CID 139747558) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chloro-4-ethenylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-ethenylphenyl)ethanol
PubChem CID139747558
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(2-chloro-4-ethenylphenyl)ethanol
SMILESC=Cc1ccc(C(C)O)c(Cl)c1
InChIInChI=1S/C10H11ClO/c1-3-8-4-5-9(7(2)12)10(11)6-8/h3-7,12H,1H2,2H3
InChIKeyOSPDMUAJNWMQGI-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethenylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-ethenylphenyl)ethanol (CID 139747558) is 1-(2-chloro-4-ethenylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-ethenylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-ethenylphenyl)ethanol is C=Cc1ccc(C(C)O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-ethenylphenyl)ethanol?
The InChIKey is OSPDMUAJNWMQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-3-8-4-5-9(7(2)12)10(11)6-8/h3-7,12H,1H2,2H3.
What are the key properties of 1-(2-chloro-4-ethenylphenyl)ethanol?
1-(2-chloro-4-ethenylphenyl)ethanol has a molecular weight of 182.65 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethenylphenyl)ethanol is sourced from PubChem (CID 139747558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).