1,2-dichloro-4-(2-methoxypentyl)benzene

C12H16Cl2O — CID 71163636

IUPAC1,2-dichloro-4-(2-methoxypentyl)benzene
SMILESCCCC(Cc1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C12H16Cl2O/c1-3-4-10(15-2)7-9-5-6-11(13)12(14)8-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyRMQKJOILGODOAX-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.35
Rot. Bonds5

About 1,2-dichloro-4-(2-methoxypentyl)benzene

1,2-dichloro-4-(2-methoxypentyl)benzene (PubChem CID 71163636) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-methoxypentyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-methoxypentyl)benzene
PubChem CID71163636
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name1,2-dichloro-4-(2-methoxypentyl)benzene
SMILESCCCC(Cc1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C12H16Cl2O/c1-3-4-10(15-2)7-9-5-6-11(13)12(14)8-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyRMQKJOILGODOAX-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-methoxypentyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-methoxypentyl)benzene (CID 71163636) is 1,2-dichloro-4-(2-methoxypentyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-methoxypentyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-methoxypentyl)benzene is CCCC(Cc1ccc(Cl)c(Cl)c1)OC.
What is the InChIKey of 1,2-dichloro-4-(2-methoxypentyl)benzene?
The InChIKey is RMQKJOILGODOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-3-4-10(15-2)7-9-5-6-11(13)12(14)8-9/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(2-methoxypentyl)benzene?
1,2-dichloro-4-(2-methoxypentyl)benzene has a molecular weight of 247.16 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-methoxypentyl)benzene is sourced from PubChem (CID 71163636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).