2-chloro-1-ethenyl-3-ethoxybenzene

C10H11ClO — CID 19358720

IUPAC2-chloro-1-ethenyl-3-ethoxybenzene
SMILESC=Cc1cccc(OCC)c1Cl
InChIInChI=1S/C10H11ClO/c1-3-8-6-5-7-9(10(8)11)12-4-2/h3,5-7H,1,4H2,2H3
InChIKeyYQPGWRPMQRDOSU-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.38
Rot. Bonds3

About 2-chloro-1-ethenyl-3-ethoxybenzene

2-chloro-1-ethenyl-3-ethoxybenzene (PubChem CID 19358720) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-1-ethenyl-3-ethoxybenzene.

Molecular Properties

Compound Name2-chloro-1-ethenyl-3-ethoxybenzene
PubChem CID19358720
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-chloro-1-ethenyl-3-ethoxybenzene
SMILESC=Cc1cccc(OCC)c1Cl
InChIInChI=1S/C10H11ClO/c1-3-8-6-5-7-9(10(8)11)12-4-2/h3,5-7H,1,4H2,2H3
InChIKeyYQPGWRPMQRDOSU-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;2-chloro-3-ethoxybenzaldehyde
CID 87224592
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
1-ethenyl-3-ethoxy-2-(2-methylpent-4-en-2-yl)benzene
CID 143972353
2-ethenyl-1-ethoxy-3-(2-ethoxyphenyl)benzene
CID 69455028
2-chloro-1-ethenyl-3-propan-2-ylbenzene
CID 118269122
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-ethenyl-3-ethoxy-2-phenoxybenzene;2-ethenylphenol
CID 22385455
1-ethenyl-2-[2-(2-ethoxyphenyl)-2-phenylethenyl]benzene
CID 172856976
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
2-chloro-3-ethenylphenol
CID 22627876
2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde
CID 117300814
1-ethenyl-5-(2-ethoxyethoxy)naphthalene
CID 68829960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethenyl-3-ethoxybenzene?
The IUPAC name of 2-chloro-1-ethenyl-3-ethoxybenzene (CID 19358720) is 2-chloro-1-ethenyl-3-ethoxybenzene.
What is the SMILES notation for 2-chloro-1-ethenyl-3-ethoxybenzene?
The canonical SMILES for 2-chloro-1-ethenyl-3-ethoxybenzene is C=Cc1cccc(OCC)c1Cl.
What is the InChIKey of 2-chloro-1-ethenyl-3-ethoxybenzene?
The InChIKey is YQPGWRPMQRDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-3-8-6-5-7-9(10(8)11)12-4-2/h3,5-7H,1,4H2,2H3.
What are the key properties of 2-chloro-1-ethenyl-3-ethoxybenzene?
2-chloro-1-ethenyl-3-ethoxybenzene has a molecular weight of 182.65 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethenyl-3-ethoxybenzene is sourced from PubChem (CID 19358720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).