1-chloro-2-(2-methoxyethoxy)-3-methylbenzene

C10H13ClO2 — CID 59177618

IUPAC1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
SMILESCOCCOc1c(C)cccc1Cl
InChIInChI=1S/C10H13ClO2/c1-8-4-3-5-9(11)10(8)13-7-6-12-2/h3-5H,6-7H2,1-2H3
InChIKeySDQWDTZYMMCUNX-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.67
Rot. Bonds4

About 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene

1-chloro-2-(2-methoxyethoxy)-3-methylbenzene (PubChem CID 59177618) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
PubChem CID59177618
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
SMILESCOCCOc1c(C)cccc1Cl
InChIInChI=1S/C10H13ClO2/c1-8-4-3-5-9(11)10(8)13-7-6-12-2/h3-5H,6-7H2,1-2H3
InChIKeySDQWDTZYMMCUNX-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280477
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
2-(2-chloro-6-methylphenoxy)acetyl chloride
CID 90385043
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
CID 154250335
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
3-(2-chloro-6-methylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4154911
sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride
CID 173365273
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
1-(chloromethyl)-2-(4-methoxybutoxy)-3-methylbenzene
CID 104648135

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene?
The IUPAC name of 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene (CID 59177618) is 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene?
The canonical SMILES for 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene is COCCOc1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene?
The InChIKey is SDQWDTZYMMCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8-4-3-5-9(11)10(8)13-7-6-12-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene?
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene has a molecular weight of 200.67 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methoxyethoxy)-3-methylbenzene is sourced from PubChem (CID 59177618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).