1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride

C10H14Cl2O5S — CID 87637876

IUPAC1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
SMILESCOCc1ccc(OC)c(OC)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H14O3.Cl2O2S/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-5(2,3)4/h4-6H,7H2,1-3H3;
InChIKeyAIJLRQRXUKYOED-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.56
Rot. Bonds4

About 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride

1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride (PubChem CID 87637876) has the molecular formula C10H14Cl2O5S and a molecular weight of 317.19 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride.

Molecular Properties

Compound Name1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
PubChem CID87637876
Molecular FormulaC10H14Cl2O5S
Molecular Weight317.19 g/mol
Exact Mass315.99
IUPAC Name1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
SMILESCOCc1ccc(OC)c(OC)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H14O3.Cl2O2S/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-5(2,3)4/h4-6H,7H2,1-3H3;
InChIKeyAIJLRQRXUKYOED-UHFFFAOYSA-N
XLogP2.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methoxy-4-(methoxymethyl)phenyl] 2-oxopropanoate
CID 118441123
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
4-(ethenoxymethyl)-1,2-dimethoxybenzene
CID 86205120
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
(3,4-dimethoxyphenyl)methoxymethanol
CID 69007274
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
1-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 55246405
(3,4-dimethoxyphenyl)methyl nitrate;methoxymethane
CID 174862254
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride?
The IUPAC name of 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride (CID 87637876) is 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride.
What is the SMILES notation for 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride?
The canonical SMILES for 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride is COCc1ccc(OC)c(OC)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride?
The InChIKey is AIJLRQRXUKYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.Cl2O2S/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-5(2,3)4/h4-6H,7H2,1-3H3;.
What are the key properties of 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride?
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride has a molecular weight of 317.19 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride is sourced from PubChem (CID 87637876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).