1-chloro-2-(2-propan-2-yloxyethyl)benzene

C11H15ClO — CID 91691644

IUPAC1-chloro-2-(2-propan-2-yloxyethyl)benzene
SMILESCC(C)OCCc1ccccc1Cl
InChIInChI=1S/C11H15ClO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyHHYPRWVNNNXDTB-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.31
Rot. Bonds4

About 1-chloro-2-(2-propan-2-yloxyethyl)benzene

1-chloro-2-(2-propan-2-yloxyethyl)benzene (PubChem CID 91691644) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-chloro-2-(2-propan-2-yloxyethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-propan-2-yloxyethyl)benzene
PubChem CID91691644
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-chloro-2-(2-propan-2-yloxyethyl)benzene
SMILESCC(C)OCCc1ccccc1Cl
InChIInChI=1S/C11H15ClO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyHHYPRWVNNNXDTB-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-2-(2-chloroethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-propan-2-yloxyethyl)benzene?
The IUPAC name of 1-chloro-2-(2-propan-2-yloxyethyl)benzene (CID 91691644) is 1-chloro-2-(2-propan-2-yloxyethyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-propan-2-yloxyethyl)benzene?
The canonical SMILES for 1-chloro-2-(2-propan-2-yloxyethyl)benzene is CC(C)OCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2-propan-2-yloxyethyl)benzene?
The InChIKey is HHYPRWVNNNXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-chloro-2-(2-propan-2-yloxyethyl)benzene?
1-chloro-2-(2-propan-2-yloxyethyl)benzene has a molecular weight of 198.69 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-propan-2-yloxyethyl)benzene is sourced from PubChem (CID 91691644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).