2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene

C18H21ClO2 — CID 63429457

IUPAC2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
SMILESCOc1ccc(OC)c(C(Cl)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C18H21ClO2/c1-12-5-6-13(2)14(9-12)10-17(19)16-11-15(20-3)7-8-18(16)21-4/h5-9,11,17H,10H2,1-4H3
InChIKeyGCVNTRLKXNKGDR-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.84
Rot. Bonds5

About 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene

2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene (PubChem CID 63429457) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
PubChem CID63429457
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
SMILESCOc1ccc(OC)c(C(Cl)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C18H21ClO2/c1-12-5-6-13(2)14(9-12)10-17(19)16-11-15(20-3)7-8-18(16)21-4/h5-9,11,17H,10H2,1-4H3
InChIKeyGCVNTRLKXNKGDR-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.84
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-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443786
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
CID 81129061
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044402
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene (CID 63429457) is 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene is COc1ccc(OC)c(C(Cl)Cc2cc(C)ccc2C)c1.
What is the InChIKey of 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene?
The InChIKey is GCVNTRLKXNKGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-12-5-6-13(2)14(9-12)10-17(19)16-11-15(20-3)7-8-18(16)21-4/h5-9,11,17H,10H2,1-4H3.
What are the key properties of 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene?
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene has a molecular weight of 304.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene is sourced from PubChem (CID 63429457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).