2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene

C21H27ClO — CID 57036150

IUPAC2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene
SMILESCCC(C)CCC(C)Oc1ccc(C)cc1-c1ccccc1Cl
InChIInChI=1S/C21H27ClO/c1-5-15(2)10-12-17(4)23-21-13-11-16(3)14-19(21)18-8-6-7-9-20(18)22/h6-9,11,13-15,17H,5,10,12H2,1-4H3
InChIKeyDQCFZTKZXSHZON-UHFFFAOYSA-N
MW330.90 g/mol
LogP6.91
Rot. Bonds7

About 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene

2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene (PubChem CID 57036150) has the molecular formula C21H27ClO and a molecular weight of 330.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene
PubChem CID57036150
Molecular FormulaC21H27ClO
Molecular Weight330.90 g/mol
Exact Mass330.18
IUPAC Name2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene
SMILESCCC(C)CCC(C)Oc1ccc(C)cc1-c1ccccc1Cl
InChIInChI=1S/C21H27ClO/c1-5-15(2)10-12-17(4)23-21-13-11-16(3)14-19(21)18-8-6-7-9-20(18)22/h6-9,11,13-15,17H,5,10,12H2,1-4H3
InChIKeyDQCFZTKZXSHZON-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.90
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene (CID 57036150) is 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene is CCC(C)CCC(C)Oc1ccc(C)cc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene?
The InChIKey is DQCFZTKZXSHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClO/c1-5-15(2)10-12-17(4)23-21-13-11-16(3)14-19(21)18-8-6-7-9-20(18)22/h6-9,11,13-15,17H,5,10,12H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene?
2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene has a molecular weight of 330.90 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene is sourced from PubChem (CID 57036150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).