(2,2-dichloro-1,1-dimethoxyethyl)benzene

C10H12Cl2O2 — CID 11356770

IUPAC(2,2-dichloro-1,1-dimethoxyethyl)benzene
SMILESCOC(OC)(c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H12Cl2O2/c1-13-10(14-2,9(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyIFKMSPPGIOGHMW-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.94
Rot. Bonds4

About (2,2-dichloro-1,1-dimethoxyethyl)benzene

(2,2-dichloro-1,1-dimethoxyethyl)benzene (PubChem CID 11356770) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is (2,2-dichloro-1,1-dimethoxyethyl)benzene.

Molecular Properties

Compound Name(2,2-dichloro-1,1-dimethoxyethyl)benzene
PubChem CID11356770
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name(2,2-dichloro-1,1-dimethoxyethyl)benzene
SMILESCOC(OC)(c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H12Cl2O2/c1-13-10(14-2,9(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyIFKMSPPGIOGHMW-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
CID 11106546
(2,2-dichloro-1,1-diphenylethyl)benzene
CID 141484377
3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
CID 174938822
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
1-methoxy-4-[nitroso(diphenyl)methyl]benzene
CID 88893098
3-methoxy-2,3-diphenylbutan-2-ol
CID 3395875
1,1,2-trimethoxypropan-2-ylbenzene
CID 14068454
(1S)-1-methoxy-1-phenylethanol
CID 141414609
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride
CID 142787315

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1,1-dimethoxyethyl)benzene?
The IUPAC name of (2,2-dichloro-1,1-dimethoxyethyl)benzene (CID 11356770) is (2,2-dichloro-1,1-dimethoxyethyl)benzene.
What is the SMILES notation for (2,2-dichloro-1,1-dimethoxyethyl)benzene?
The canonical SMILES for (2,2-dichloro-1,1-dimethoxyethyl)benzene is COC(OC)(c1ccccc1)C(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1,1-dimethoxyethyl)benzene?
The InChIKey is IFKMSPPGIOGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-13-10(14-2,9(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of (2,2-dichloro-1,1-dimethoxyethyl)benzene?
(2,2-dichloro-1,1-dimethoxyethyl)benzene has a molecular weight of 235.11 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1,1-dimethoxyethyl)benzene is sourced from PubChem (CID 11356770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).