5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene

C16H16Cl2O3 — CID 43516801

IUPAC5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
SMILESCOc1cc(CCl)cc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C16H16Cl2O3/c1-19-14-7-11(9-17)8-15(20-2)16(14)21-10-12-5-3-4-6-13(12)18/h3-8H,9-10H2,1-2H3
InChIKeyWCMRJCGITFFMJL-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.68
Rot. Bonds6

About 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene

5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene (PubChem CID 43516801) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
PubChem CID43516801
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
SMILESCOc1cc(CCl)cc(OC)c1OCc1ccccc1Cl
InChIInChI=1S/C16H16Cl2O3/c1-19-14-7-11(9-17)8-15(20-2)16(14)21-10-12-5-3-4-6-13(12)18/h3-8H,9-10H2,1-2H3
InChIKeyWCMRJCGITFFMJL-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxybenzene
CID 43324504
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol
CID 2215596
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4717010
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721356
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723998
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2960435
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332494
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291020
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene?
The IUPAC name of 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene (CID 43516801) is 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene.
What is the SMILES notation for 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene?
The canonical SMILES for 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene is COc1cc(CCl)cc(OC)c1OCc1ccccc1Cl.
What is the InChIKey of 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene?
The InChIKey is WCMRJCGITFFMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-19-14-7-11(9-17)8-15(20-2)16(14)21-10-12-5-3-4-6-13(12)18/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene?
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene has a molecular weight of 327.21 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene is sourced from PubChem (CID 43516801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).