1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene

C14H20Cl2O — CID 70807903

IUPAC1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
SMILESCC(C)(C)CC(C)(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2O/c1-13(2,3)9-14(4,5)17-11-8-6-7-10(15)12(11)16/h6-8H,9H2,1-5H3
InChIKeyLNGNNFXDTXVHMQ-UHFFFAOYSA-N
MW275.22 g/mol
LogP5.59
Rot. Bonds3

About 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene

1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene (PubChem CID 70807903) has the molecular formula C14H20Cl2O and a molecular weight of 275.22 g/mol. Its IUPAC name is 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
PubChem CID70807903
Molecular FormulaC14H20Cl2O
Molecular Weight275.22 g/mol
Exact Mass274.09
IUPAC Name1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
SMILESCC(C)(C)CC(C)(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2O/c1-13(2,3)9-14(4,5)17-11-8-6-7-10(15)12(11)16/h6-8H,9H2,1-5H3
InChIKeyLNGNNFXDTXVHMQ-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.22
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
2-(2,3-dichlorophenoxy)-2-methylpropanamide
CID 53255066
1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82131057
1-chloro-2-(chloromethyl)-3-(2-methylbutan-2-yloxy)benzene
CID 29004046
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
1,2-dichloro-3-(trinitromethoxy)benzene
CID 163857462
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
CID 62354816
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene?
The IUPAC name of 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene (CID 70807903) is 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene?
The canonical SMILES for 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene is CC(C)(C)CC(C)(C)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene?
The InChIKey is LNGNNFXDTXVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O/c1-13(2,3)9-14(4,5)17-11-8-6-7-10(15)12(11)16/h6-8H,9H2,1-5H3.
What are the key properties of 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene?
1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene has a molecular weight of 275.22 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene is sourced from PubChem (CID 70807903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).