1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene

C12H17ClO — CID 824236

IUPAC1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene
SMILESCCOc1ccccc1C(C)(C)CCl
InChIInChI=1S/C12H17ClO/c1-4-14-11-8-6-5-7-10(11)12(2,3)9-13/h5-8H,4,9H2,1-3H3
InChIKeyQSTXUWDNHBTZGA-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.60
Rot. Bonds4

About 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene

1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene (PubChem CID 824236) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene
PubChem CID824236
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene
SMILESCCOc1ccccc1C(C)(C)CCl
InChIInChI=1S/C12H17ClO/c1-4-14-11-8-6-5-7-10(11)12(2,3)9-13/h5-8H,4,9H2,1-3H3
InChIKeyQSTXUWDNHBTZGA-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene?
The IUPAC name of 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene (CID 824236) is 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene.
What is the SMILES notation for 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene?
The canonical SMILES for 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene is CCOc1ccccc1C(C)(C)CCl.
What is the InChIKey of 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene?
The InChIKey is QSTXUWDNHBTZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-4-14-11-8-6-5-7-10(11)12(2,3)9-13/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene?
1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene has a molecular weight of 212.72 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpropan-2-yl)-2-ethoxybenzene is sourced from PubChem (CID 824236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).