1-chloro-4-ethenylbenzene;ethanol

C10H13ClO — CID 175389019

IUPAC1-chloro-4-ethenylbenzene;ethanol
SMILESC=Cc1ccc(Cl)cc1.CCO
InChIInChI=1S/C8H7Cl.C2H6O/c1-2-7-3-5-8(9)6-4-7;1-2-3/h2-6H,1H2;3H,2H2,1H3
InChIKeyXRNQWYIZRKWKAV-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.98
Rot. Bonds1

About 1-chloro-4-ethenylbenzene;ethanol

1-chloro-4-ethenylbenzene;ethanol (PubChem CID 175389019) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-4-ethenylbenzene;ethanol.

Molecular Properties

Compound Name1-chloro-4-ethenylbenzene;ethanol
PubChem CID175389019
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-4-ethenylbenzene;ethanol
SMILESC=Cc1ccc(Cl)cc1.CCO
InChIInChI=1S/C8H7Cl.C2H6O/c1-2-7-3-5-8(9)6-4-7;1-2-3/h2-6H,1H2;3H,2H2,1H3
InChIKeyXRNQWYIZRKWKAV-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.98
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 1-chloro-4-ethenylbenzene;ethanol?
The IUPAC name of 1-chloro-4-ethenylbenzene;ethanol (CID 175389019) is 1-chloro-4-ethenylbenzene;ethanol.
What is the SMILES notation for 1-chloro-4-ethenylbenzene;ethanol?
The canonical SMILES for 1-chloro-4-ethenylbenzene;ethanol is C=Cc1ccc(Cl)cc1.CCO.
What is the InChIKey of 1-chloro-4-ethenylbenzene;ethanol?
The InChIKey is XRNQWYIZRKWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.C2H6O/c1-2-7-3-5-8(9)6-4-7;1-2-3/h2-6H,1H2;3H,2H2,1H3.
What are the key properties of 1-chloro-4-ethenylbenzene;ethanol?
1-chloro-4-ethenylbenzene;ethanol has a molecular weight of 184.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylbenzene;ethanol is sourced from PubChem (CID 175389019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).