1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene

C10H10Cl4O2 — CID 6932906

IUPAC1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene
SMILESCOc1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1OC
InChIInChI=1S/C10H10Cl4O2/c1-15-7-4-3-6(5-8(7)16-2)9(11)10(12,13)14/h3-5,9H,1-2H3/t9-/m1/s1
InChIKeyAVANJYCNHDNKEL-SECBINFHSA-N
MW304.00 g/mol
LogP4.35
Rot. Bonds3

About 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene

1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene (PubChem CID 6932906) has the molecular formula C10H10Cl4O2 and a molecular weight of 304.00 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene
PubChem CID6932906
Molecular FormulaC10H10Cl4O2
Molecular Weight304.00 g/mol
Exact Mass301.94
IUPAC Name1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene
SMILESCOc1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1OC
InChIInChI=1S/C10H10Cl4O2/c1-15-7-4-3-6(5-8(7)16-2)9(11)10(12,13)14/h3-5,9H,1-2H3/t9-/m1/s1
InChIKeyAVANJYCNHDNKEL-SECBINFHSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.00
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-chloro-2-methyl-2-nitropropyl)-1,2-dimethoxybenzene
CID 13020595
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 61082755
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-chloro-2-(3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 82214956
4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1,3-difluorobenzene
CID 61081731
2-bromo-4-[chloro-(3,4-dimethoxyphenyl)methyl]-1-methylbenzene
CID 81476083
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene (CID 6932906) is 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene is COc1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene?
The InChIKey is AVANJYCNHDNKEL-SECBINFHSA-N. The full InChI is InChI=1S/C10H10Cl4O2/c1-15-7-4-3-6(5-8(7)16-2)9(11)10(12,13)14/h3-5,9H,1-2H3/t9-/m1/s1.
What are the key properties of 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene?
1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene has a molecular weight of 304.00 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene is sourced from PubChem (CID 6932906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).