1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane

C16H27ClO — CID 178008216

IUPAC1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane
SMILESCC.CC(C)OC(c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClO.C2H6/c1-10(2)16-13(14(3,4)5)11-8-6-7-9-12(11)15;1-2/h6-10,13H,1-5H3;1-2H3
InChIKeyQZBCJHJXMRZOMP-UHFFFAOYSA-N
MW270.84 g/mol
LogP5.88
Rot. Bonds3

About 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane

1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane (PubChem CID 178008216) has the molecular formula C16H27ClO and a molecular weight of 270.84 g/mol. Its IUPAC name is 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane
PubChem CID178008216
Molecular FormulaC16H27ClO
Molecular Weight270.84 g/mol
Exact Mass270.18
IUPAC Name1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane
SMILESCC.CC(C)OC(c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClO.C2H6/c1-10(2)16-13(14(3,4)5)11-8-6-7-9-12(11)15;1-2/h6-10,13H,1-5H3;1-2H3
InChIKeyQZBCJHJXMRZOMP-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.84
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene
CID 154618376
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1-(2-chlorophenyl)ethylazanium chloride
CID 160644474
1-chloro-2-[1-(2-methoxypropan-2-yloxy)ethyl]benzene
CID 90998668
methyl 3-(2-chlorophenyl)-3-methoxy-2,2-dimethylpropanoate
CID 122206433
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane
CID 159975802
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane?
The IUPAC name of 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane (CID 178008216) is 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane.
What is the SMILES notation for 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane?
The canonical SMILES for 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane is CC.CC(C)OC(c1ccccc1Cl)C(C)(C)C.
What is the InChIKey of 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane?
The InChIKey is QZBCJHJXMRZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO.C2H6/c1-10(2)16-13(14(3,4)5)11-8-6-7-9-12(11)15;1-2/h6-10,13H,1-5H3;1-2H3.
What are the key properties of 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane?
1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane has a molecular weight of 270.84 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,2-dimethyl-1-propan-2-yloxypropyl)benzene;ethane is sourced from PubChem (CID 178008216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).