1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene

C13H18Cl2O — CID 69419580

IUPAC1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene
SMILESCC(C)OC[C@H](C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2O/c1-9(2)16-8-10(3)6-11-4-5-12(14)13(15)7-11/h4-5,7,9-10H,6,8H2,1-3H3/t10-/m1/s1
InChIKeyDKTPYCMLDLVKAO-SNVBAGLBSA-N
MW261.19 g/mol
LogP4.60
Rot. Bonds5

About 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene

1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene (PubChem CID 69419580) has the molecular formula C13H18Cl2O and a molecular weight of 261.19 g/mol. Its IUPAC name is 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene
PubChem CID69419580
Molecular FormulaC13H18Cl2O
Molecular Weight261.19 g/mol
Exact Mass260.07
IUPAC Name1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene
SMILESCC(C)OC[C@H](C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2O/c1-9(2)16-8-10(3)6-11-4-5-12(14)13(15)7-11/h4-5,7,9-10H,6,8H2,1-3H3/t10-/m1/s1
InChIKeyDKTPYCMLDLVKAO-SNVBAGLBSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 54.60
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-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene (CID 69419580) is 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene is CC(C)OC[C@H](C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene?
The InChIKey is DKTPYCMLDLVKAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18Cl2O/c1-9(2)16-8-10(3)6-11-4-5-12(14)13(15)7-11/h4-5,7,9-10H,6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene?
1,2-dichloro-4-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene has a molecular weight of 261.19 g/mol, XLogP of 4.60, 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-[(2R)-2-methyl-3-propan-2-yloxypropyl]benzene is sourced from PubChem (CID 69419580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).