1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene

C11H15ClO — CID 535218

IUPAC1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(CCl)cc1
InChIInChI=1S/C11H15ClO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKeySOOPMPABJXPFML-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.60
Rot. Bonds2

About 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene

1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 535218) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID535218
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(CCl)cc1
InChIInChI=1S/C11H15ClO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKeySOOPMPABJXPFML-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
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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Related Compounds

ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol
CID 161435417
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
CID 59510583
CID 59510583
trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
CID 71403071

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene (CID 535218) is 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is SOOPMPABJXPFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3.
What are the key properties of 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 198.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 535218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).