1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene

C16H17ClO2 — CID 55149546

IUPAC1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
SMILESCOc1ccc(CC(Cl)c2ccccc2OC)cc1
InChIInChI=1S/C16H17ClO2/c1-18-13-9-7-12(8-10-13)11-15(17)14-5-3-4-6-16(14)19-2/h3-10,15H,11H2,1-2H3
InChIKeyAJXHXZHNIFKRRT-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.23
Rot. Bonds5

About 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene

1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene (PubChem CID 55149546) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
PubChem CID55149546
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
SMILESCOc1ccc(CC(Cl)c2ccccc2OC)cc1
InChIInChI=1S/C16H17ClO2/c1-18-13-9-7-12(8-10-13)11-15(17)14-5-3-4-6-16(14)19-2/h3-10,15H,11H2,1-2H3
InChIKeyAJXHXZHNIFKRRT-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.23
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-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63520582
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
4-bromo-1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methylbenzene
CID 63519198
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene
CID 168831810

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
The IUPAC name of 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene (CID 55149546) is 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene is COc1ccc(CC(Cl)c2ccccc2OC)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
The InChIKey is AJXHXZHNIFKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-18-13-9-7-12(8-10-13)11-15(17)14-5-3-4-6-16(14)19-2/h3-10,15H,11H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene has a molecular weight of 276.76 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene is sourced from PubChem (CID 55149546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).