5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene

C11H15ClO4 — CID 65364393

IUPAC5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(OC)cc(CCl)cc1OC
InChIInChI=1S/C11H15ClO4/c1-13-7-16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-5H,6-7H2,1-3H3
InChIKeyBPRZKIFAIDTARB-UHFFFAOYSA-N
MW246.69 g/mol
LogP2.43
Rot. Bonds6

About 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene

5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene (PubChem CID 65364393) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
PubChem CID65364393
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(OC)cc(CCl)cc1OC
InChIInChI=1S/C11H15ClO4/c1-13-7-16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-5H,6-7H2,1-3H3
InChIKeyBPRZKIFAIDTARB-UHFFFAOYSA-N
XLogP2.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
CID 106929889
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
CID 43516795
5-(chloromethyl)-2-(2-ethylsulfanylethoxy)-1,3-dimethoxybenzene
CID 113473809
3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613923
1-bromo-5-(chloromethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 54935509
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene?
The IUPAC name of 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene (CID 65364393) is 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene is COCOc1c(OC)cc(CCl)cc1OC.
What is the InChIKey of 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene?
The InChIKey is BPRZKIFAIDTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-13-7-16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene?
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene has a molecular weight of 246.69 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene is sourced from PubChem (CID 65364393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).