1-(dichloromethyl)-3-ethoxybenzene

C9H10Cl2O — CID 54222929

IUPAC1-(dichloromethyl)-3-ethoxybenzene
SMILESCCOc1cccc(C(Cl)Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,9H,2H2,1H3
InChIKeyPGTZRZWYIDOINV-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.56
Rot. Bonds3

About 1-(dichloromethyl)-3-ethoxybenzene

1-(dichloromethyl)-3-ethoxybenzene (PubChem CID 54222929) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1-(dichloromethyl)-3-ethoxybenzene.

Molecular Properties

Compound Name1-(dichloromethyl)-3-ethoxybenzene
PubChem CID54222929
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1-(dichloromethyl)-3-ethoxybenzene
SMILESCCOc1cccc(C(Cl)Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,9H,2H2,1H3
InChIKeyPGTZRZWYIDOINV-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro-(3-ethoxyphenyl)methanol
CID 141156919
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
2-(3-ethoxyphenyl)propanenitrile
CID 130134984
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-3-ethoxybenzene?
The IUPAC name of 1-(dichloromethyl)-3-ethoxybenzene (CID 54222929) is 1-(dichloromethyl)-3-ethoxybenzene.
What is the SMILES notation for 1-(dichloromethyl)-3-ethoxybenzene?
The canonical SMILES for 1-(dichloromethyl)-3-ethoxybenzene is CCOc1cccc(C(Cl)Cl)c1.
What is the InChIKey of 1-(dichloromethyl)-3-ethoxybenzene?
The InChIKey is PGTZRZWYIDOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,9H,2H2,1H3.
What are the key properties of 1-(dichloromethyl)-3-ethoxybenzene?
1-(dichloromethyl)-3-ethoxybenzene has a molecular weight of 205.08 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-3-ethoxybenzene is sourced from PubChem (CID 54222929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).