1-chloro-2-propan-2-yloxybenzene;ethane

C11H17ClO — CID 143368114

IUPAC1-chloro-2-propan-2-yloxybenzene;ethane
SMILESCC.CC(C)Oc1ccccc1Cl
InChIInChI=1S/C9H11ClO.C2H6/c1-7(2)11-9-6-4-3-5-8(9)10;1-2/h3-7H,1-2H3;1-2H3
InChIKeyBXMYSJRKMHCITO-UHFFFAOYSA-N
MW200.71 g/mol
LogP4.15
Rot. Bonds2

About 1-chloro-2-propan-2-yloxybenzene;ethane

1-chloro-2-propan-2-yloxybenzene;ethane (PubChem CID 143368114) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-chloro-2-propan-2-yloxybenzene;ethane.

Molecular Properties

Compound Name1-chloro-2-propan-2-yloxybenzene;ethane
PubChem CID143368114
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name1-chloro-2-propan-2-yloxybenzene;ethane
SMILESCC.CC(C)Oc1ccccc1Cl
InChIInChI=1S/C9H11ClO.C2H6/c1-7(2)11-9-6-4-3-5-8(9)10;1-2/h3-7H,1-2H3;1-2H3
InChIKeyBXMYSJRKMHCITO-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[(2,3-dichlorophenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
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2-chloro-6-propan-2-yloxybenzoic acid
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1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-yloxybenzene;ethane?
The IUPAC name of 1-chloro-2-propan-2-yloxybenzene;ethane (CID 143368114) is 1-chloro-2-propan-2-yloxybenzene;ethane.
What is the SMILES notation for 1-chloro-2-propan-2-yloxybenzene;ethane?
The canonical SMILES for 1-chloro-2-propan-2-yloxybenzene;ethane is CC.CC(C)Oc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-propan-2-yloxybenzene;ethane?
The InChIKey is BXMYSJRKMHCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO.C2H6/c1-7(2)11-9-6-4-3-5-8(9)10;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 1-chloro-2-propan-2-yloxybenzene;ethane?
1-chloro-2-propan-2-yloxybenzene;ethane has a molecular weight of 200.71 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-yloxybenzene;ethane is sourced from PubChem (CID 143368114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).