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

C10H12Cl2O — CID 162775400

IUPAC1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6H,1-3H3
InChIKeyVBYPOUHKAQAQET-UHFFFAOYSA-N
MW219.11 g/mol
LogP4.17
Rot. Bonds1

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

1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 162775400) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID162775400
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6H,1-3H3
InChIKeyVBYPOUHKAQAQET-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68785646
1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 70807903
2-(2,3-dichlorophenoxy)-2-methylpropanamide
CID 53255066
1,2-dichloro-3-(trinitromethoxy)benzene
CID 163857462
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82131057
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714
2,3-bis[(2-methylpropan-2-yl)oxy]phenol
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(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene (CID 162775400) is 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is VBYPOUHKAQAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6H,1-3H3.
What are the key properties of 1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene?
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 219.11 g/mol, XLogP of 4.17, 1 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)oxy]benzene is sourced from PubChem (CID 162775400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).