1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene

C10H13ClO — CID 11298360

IUPAC1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,1-3H3
InChIKeyMJGVPJDEMMMUFN-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.52
Rot. Bonds1

About 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene

1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 11298360) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID11298360
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,1-3H3
InChIKeyMJGVPJDEMMMUFN-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromo-2,2-dimethylpropoxy)-3-chlorobenzene
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2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
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4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-(3-chlorophenoxy)-2-methyl-3-sulfanylpropan-2-ol
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4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene (CID 11298360) is 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is MJGVPJDEMMMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,1-3H3.
What are the key properties of 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene?
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 184.67 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 11298360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).