1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene

C11H14Cl2O — CID 91723340

IUPAC1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3
InChIKeyFYAFCBBJJQFART-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.31
Rot. Bonds2

About 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene

1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 91723340) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID91723340
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3
InChIKeyFYAFCBBJJQFART-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Aminooxy)methyl]-2,3-dichlorobenzene hydrochloride
CID 18525980
Tritac
CID 15829
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
(2R)-2-(3,4-dichlorophenyl)oxirane
CID 10352473
2-(3,4-Dichloro-phenyl)-oxirane
CID 13521714
(1S)-1-(2,3-dichlorophenyl)ethan-1-ol
CID 103920518
O-[(2,3-dichlorophenyl)methyl]hydroxylamine
CID 468124
1-(2,3-Dichlorophenyl)ethanol
CID 600228
2-Chloro-6-fluorobenzyl alcohol, n-butyl ether
CID 91718296
2-Chloro-6-fluorobenzyl alcohol, isopropyl ether
CID 91718298
2-Chloro-6-fluorobenzyl alcohol, 1-methylpropyl ether
CID 91718299
(2S)-2-(3,4-dichlorophenyl)oxirane
CID 13521715

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 91723340) is 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene is CC(C)(C)OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is FYAFCBBJJQFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3.
What are the key properties of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 233.14 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 91723340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).