1-(chloromethoxy)-2-methoxybenzene

C8H9ClO2 — CID 12696124

IUPAC1-(chloromethoxy)-2-methoxybenzene
SMILESCOc1ccccc1OCCl
InChIInChI=1S/C8H9ClO2/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5H,6H2,1H3
InChIKeySROGREVEVXTBRA-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.27
Rot. Bonds3

About 1-(chloromethoxy)-2-methoxybenzene

1-(chloromethoxy)-2-methoxybenzene (PubChem CID 12696124) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 1-(chloromethoxy)-2-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethoxy)-2-methoxybenzene
PubChem CID12696124
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name1-(chloromethoxy)-2-methoxybenzene
SMILESCOc1ccccc1OCCl
InChIInChI=1S/C8H9ClO2/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5H,6H2,1H3
InChIKeySROGREVEVXTBRA-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-2-methoxybenzene?
The IUPAC name of 1-(chloromethoxy)-2-methoxybenzene (CID 12696124) is 1-(chloromethoxy)-2-methoxybenzene.
What is the SMILES notation for 1-(chloromethoxy)-2-methoxybenzene?
The canonical SMILES for 1-(chloromethoxy)-2-methoxybenzene is COc1ccccc1OCCl.
What is the InChIKey of 1-(chloromethoxy)-2-methoxybenzene?
The InChIKey is SROGREVEVXTBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5H,6H2,1H3.
What are the key properties of 1-(chloromethoxy)-2-methoxybenzene?
1-(chloromethoxy)-2-methoxybenzene has a molecular weight of 172.61 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-2-methoxybenzene is sourced from PubChem (CID 12696124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).