1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene

C14H14Cl2O2 — CID 173233574

IUPAC1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene
SMILESCOC1=CCCC(c2ccc(Cl)c(Cl)c2)=C1OC
InChIInChI=1S/C14H14Cl2O2/c1-17-13-5-3-4-10(14(13)18-2)9-6-7-11(15)12(16)8-9/h5-8H,3-4H2,1-2H3
InChIKeyHKXKRTKTRNHWFP-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.68
Rot. Bonds3

About 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene

1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene (PubChem CID 173233574) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene
PubChem CID173233574
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene
SMILESCOC1=CCCC(c2ccc(Cl)c(Cl)c2)=C1OC
InChIInChI=1S/C14H14Cl2O2/c1-17-13-5-3-4-10(14(13)18-2)9-6-7-11(15)12(16)8-9/h5-8H,3-4H2,1-2H3
InChIKeyHKXKRTKTRNHWFP-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene (CID 173233574) is 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene is COC1=CCCC(c2ccc(Cl)c(Cl)c2)=C1OC.
What is the InChIKey of 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is HKXKRTKTRNHWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c1-17-13-5-3-4-10(14(13)18-2)9-6-7-11(15)12(16)8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene?
1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 285.17 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2,3-dimethoxycyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 173233574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).