1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene

C13H15ClO — CID 155219938

IUPAC1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene
SMILESCOC1=CCCCC1c1ccccc1Cl
InChIInChI=1S/C13H15ClO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h2,4,6,8-9,11H,3,5,7H2,1H3
InChIKeyGAGYMVMKBANMMB-UHFFFAOYSA-N
MW222.72 g/mol
LogP4.14
Rot. Bonds2

About 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene

1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene (PubChem CID 155219938) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene
PubChem CID155219938
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene
SMILESCOC1=CCCCC1c1ccccc1Cl
InChIInChI=1S/C13H15ClO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h2,4,6,8-9,11H,3,5,7H2,1H3
InChIKeyGAGYMVMKBANMMB-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene (CID 155219938) is 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene is COC1=CCCCC1c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene?
The InChIKey is GAGYMVMKBANMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h2,4,6,8-9,11H,3,5,7H2,1H3.
What are the key properties of 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene?
1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene has a molecular weight of 222.72 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 155219938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).